3NGB
 
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3U4E
 | | Crystal Structure of PG9 Fab in Complex with V1V2 Region from HIV-1 strain CAP45 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PG9 Heavy Chain, PG9 Light Chain, ... | | Authors: | Gorman, J, McLellan, J, Pancera, M, Kwong, P.D. | | Deposit date: | 2011-10-07 | | Release date: | 2011-11-30 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.185 Å) | | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
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8IYX
 | | Cryo-EM structure of the GPR34 receptor in complex with the antagonist YL-365 | | Descriptor: | 1-[4-(3-chlorophenyl)phenyl]carbonyl-4-[2-(4-phenylmethoxyphenyl)ethanoylamino]piperidine-4-carboxylic acid, Probable G-protein coupled receptor 34,YL-365 | | Authors: | Jia, G.W, Wang, X, Zhang, C.B, Dong, H.H, Su, Z.M. | | Deposit date: | 2023-04-06 | | Release date: | 2024-03-20 | | Method: | ELECTRON MICROSCOPY (3.34 Å) | | Cite: | Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
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7NYJ
 | | Structure of OBP1 from Varroa destructor, form P3<2>21 | | Descriptor: | CALCIUM ION, Odorant Binding Protein 1 from Varoa destructor, form P3<2>21, ... | | Authors: | Cambillau, C, Amigues, B, Roussel, A, Leone, P, Gaubert, A, Pelosi, P. | | Deposit date: | 2021-03-22 | | Release date: | 2021-07-07 | | Method: | X-RAY DIFFRACTION (1.81 Å) | | Cite: | A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity.
Sci Rep, 11, 2021
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7NZA
 | | Structure of OBP1 from Varroa destructor, form P2<1> | | Descriptor: | 2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID, Odorant Binding Protein from Varroa destructor, form P2<1>, ... | | Authors: | Cambillau, C, Amigues, B, Roussel, A, Leone, P, Gaubert, A, Pelosi, P. | | Deposit date: | 2021-03-23 | | Release date: | 2021-07-07 | | Last modified: | 2024-01-31 | | Method: | X-RAY DIFFRACTION (1.199 Å) | | Cite: | A new non-classical fold of varroa odorant-binding proteins reveals a wide open internal cavity.
Sci Rep, 11, 2021
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4NWK
 | | Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide | | Descriptor: | GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ... | | Authors: | Muckelbauer, J.K, Klei, H.E. | | Deposit date: | 2013-12-06 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (1.62 Å) | | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
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4NWL
 | | Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide | | Descriptor: | HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION | | Authors: | Muckelbauer, J.K, Klei, H.E. | | Deposit date: | 2013-12-06 | | Release date: | 2014-03-26 | | Last modified: | 2024-02-28 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
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8SAI
 | | Cryo-EM structure of GPR34-Gi complex | | Descriptor: | Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ... | | Authors: | Yong, X.H, Zhao, C, Yan, W, Shao, Z.H. | | Deposit date: | 2023-04-01 | | Release date: | 2023-10-04 | | Method: | ELECTRON MICROSCOPY (3.27 Å) | | Cite: | Cryo-EM structures of human GPR34 enable the identification of selective antagonists.
Proc.Natl.Acad.Sci.USA, 120, 2023
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3LRS
 | | Structure of PG16, an antibody with broad and potent neutralization of HIV-1 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, PG-16 Heavy Chain Fab, PG-16 Light Chain Fab | | Authors: | Pancera, M, Kwong, P.D. | | Deposit date: | 2010-02-11 | | Release date: | 2010-06-09 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.37 Å) | | Cite: | Crystal structure of PG16 and chimeric dissection with somatically related PG9: structure-function analysis of two quaternary-specific antibodies that effectively neutralize HIV-1.
J.Virol., 84, 2010
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7F2M
 | | Crystal structure of PDE4D catalytic domain complexed with compound 18d | | Descriptor: | (~{Z})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | | Deposit date: | 2021-06-11 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.20004153 Å) | | Cite: | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021
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7F2K
 | | Crystal structure of PDE4D catalytic domain complexed with compound 17a | | Descriptor: | (~{E})-4-[8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-9-oxidanyl-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | | Deposit date: | 2021-06-11 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.10001969 Å) | | Cite: | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021
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7F2L
 | | Crystal structure of PDE4D catalytic domain complexed with compound 18a | | Descriptor: | (~{E})-4-[9-[(4-fluorophenyl)methoxy]-8-methoxy-2,2-dimethyl-7-(3-methylbut-2-enyl)-6-oxidanylidene-pyrano[3,2-b]xanthen-5-yl]oxybut-2-enoic acid, Isoform 3 of cAMP-specific 3',5'-cyclic phosphodiesterase 4D, MAGNESIUM ION, ... | | Authors: | Huang, Y.-Y, He, X, Luo, H.-B. | | Deposit date: | 2021-06-11 | | Release date: | 2021-10-20 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (2.10111427 Å) | | Cite: | Mangostanin Derivatives as Novel and Orally Active Phosphodiesterase 4 Inhibitors for the Treatment of Idiopathic Pulmonary Fibrosis with Improved Safety.
J.Med.Chem., 64, 2021
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4QO4
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6BKB
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody AR3A | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab AR3A heavy chain, ... | | Authors: | Tzarum, N, Wilson, I.A, Law, M. | | Deposit date: | 2017-11-08 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.799 Å) | | Cite: | Genetic and structural insights into broad neutralization of hepatitis C virus by human VH1-69 antibodies.
Sci Adv, 5, 2019
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6BKC
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody AR3B | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Fab AR3B heavy chain, Fab AR3B light chain, ... | | Authors: | Tzarum, N, Wilson, I.A, Law, M. | | Deposit date: | 2017-11-08 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (2.6 Å) | | Cite: | Genetic and structural insights into broad neutralization of hepatitis C virus by human VH1-69 antibodies.
Sci Adv, 5, 2019
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6W9D
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6W7Z
 | | RNF12 RING domain in complex with Ube2d2 | | Descriptor: | E3 ubiquitin-protein ligase RLIM, GLYCEROL, Ubiquitin-conjugating enzyme E2 D2, ... | | Authors: | Middleton, A.J, Day, C.L. | | Deposit date: | 2020-03-19 | | Release date: | 2020-05-20 | | Last modified: | 2024-04-03 | | Method: | X-RAY DIFFRACTION (1.8 Å) | | Cite: | The RING Domain of RING Finger 12 Efficiently Builds Degradative Ubiquitin Chains.
J.Mol.Biol., 432, 2020
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6BKD
 | | Structure of Hepatitis C Virus Envelope Glycoprotein E2 core from genotype 6a bound to broadly neutralizing antibody AR3D | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Fab AR3D heavy chain, Fab AR3D light chain, ... | | Authors: | Tzarum, N, Wilson, I.A, Law, M. | | Deposit date: | 2017-11-08 | | Release date: | 2018-12-26 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (3.25 Å) | | Cite: | Genetic and structural insights into broad neutralization of hepatitis C virus by human VH1-69 antibodies.
Sci Adv, 5, 2019
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6XK9
 | | Cereblon in complex with DDB1, CC-90009, and GSPT1 | | Descriptor: | 2-(4-chlorophenyl)-N-({2-[(3S)-2,6-dioxopiperidin-3-yl]-1-oxo-2,3-dihydro-1H-isoindol-5-yl}methyl)-2,2-difluoroacetamide, DNA damage-binding protein 1, Eukaryotic peptide chain release factor GTP-binding subunit ERF3A, ... | | Authors: | Clayton, T.L, Tran, E.T, Zhu, J, Pagarigan, B.E, Matyskiela, M.E, Chamberlain, P.P. | | Deposit date: | 2020-06-25 | | Release date: | 2020-12-02 | | Last modified: | 2023-10-18 | | Method: | X-RAY DIFFRACTION (3.64 Å) | | Cite: | CC-90009, a novel cereblon E3 ligase modulator, targets acute myeloid leukemia blasts and leukemia stem cells.
Blood, 137, 2021
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5E73
 | | Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH47 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)acetamide | | Authors: | Lolli, G, Spiliotopoulos, D, Unzue, A, Nevado, C, Caflisch, A. | | Deposit date: | 2015-10-11 | | Release date: | 2015-10-28 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.71 Å) | | Cite: | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
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5E74
 | | Crystal Structure of BAZ2B bromodomain in complex with acetylindole compound UZH50 | | Descriptor: | Bromodomain adjacent to zinc finger domain protein 2B, N-(1-acetyl-1H-indol-3-yl)-N-(5-hydroxy-2-methylphenyl)-3-(trifluoromethyl)benzamide | | Authors: | Lolli, G, Spiliotopoulos, D, Dolbois, A, Nevado, C, Caflisch, A. | | Deposit date: | 2015-10-11 | | Release date: | 2015-10-21 | | Last modified: | 2024-01-10 | | Method: | X-RAY DIFFRACTION (1.783 Å) | | Cite: | The "Gatekeeper" Residue Influences the Mode of Binding of Acetyl Indoles to Bromodomains.
J. Med. Chem., 59, 2016
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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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3U1S
 | | Crystal structure of human Fab PGT145, a broadly reactive and potent HIV-1 neutralizing antibody | | Descriptor: | Fab PGT145 Heavy chain, Fab PGT145 Light chain, GLYCEROL, ... | | Authors: | Julien, J.-P, Diwanji, D, Burton, D.R, Wilson, I.A. | | Deposit date: | 2011-09-30 | | Release date: | 2011-12-07 | | Last modified: | 2023-12-06 | | Method: | X-RAY DIFFRACTION (2.3 Å) | | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
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3U36
 | | Crystal Structure of PG9 Fab | | Descriptor: | PG9 Fab heavy chain, PG9 Fab light chain, SULFATE ION | | Authors: | McLellan, J.S, Kwong, P.D. | | Deposit date: | 2011-10-04 | | Release date: | 2011-11-30 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.281 Å) | | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
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3U4B
 | | CH04H/CH02L Fab P4 | | Descriptor: | CH02 Light chain, CH04 Heavy chain | | Authors: | Pancera, M, Louder, R, Mclellan, J.S, KWong, P.D. | | Deposit date: | 2011-10-07 | | Release date: | 2011-11-30 | | Last modified: | 2011-12-21 | | Method: | X-RAY DIFFRACTION (2.893 Å) | | Cite: | Structure of HIV-1 gp120 V1/V2 domain with broadly neutralizing antibody PG9.
Nature, 480, 2011
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