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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3TIH
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6A5H
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6LY4
 | | The crystal structure of the BM3 mutant LG-23 in complex with testosterone | | Descriptor: | 1,2-ETHANEDIOL, Bifunctional cytochrome P450/NADPH--P450 reductase, IMIDAZOLE, ... | | Authors: | Peng, Y, Chen, J, Zhou, J, Li, A, ReetZ, M.T. | | Deposit date: | 2020-02-13 | | Release date: | 2020-04-29 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (1.68 Å) | | Cite: | Regio- and Stereoselective Steroid Hydroxylation at C7 by Cytochrome P450 Monooxygenase Mutants.
Angew.Chem.Int.Ed.Engl., 59, 2020
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7EMN
 | | The atomic structure of SHP2 E76A mutant | | Descriptor: | Tyrosine-protein phosphatase non-receptor type 11 | | Authors: | Luo, F, Xie, J.J, Zhu, J.D, Liu, C. | | Deposit date: | 2021-04-14 | | Release date: | 2021-05-05 | | Last modified: | 2023-11-29 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | A novel partially open state of SHP2 points to a "multiple gear" regulation mechanism.
J.Biol.Chem., 296, 2021
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6CE0
 | | Crystal structure of a HIV-1 clade B tier-3 isolate H078.14 UFO-BG Env trimer in complex with broadly neutralizing Fabs PGT124 and 35O22 at 4.6 Angstrom | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 35O22 Heavy chain, ... | | Authors: | Kumar, S, Sarkar, A, Wilson, I.A. | | Deposit date: | 2018-02-09 | | Release date: | 2018-12-05 | | Last modified: | 2023-10-04 | | Method: | X-RAY DIFFRACTION (4.602 Å) | | Cite: | HIV-1 vaccine design through minimizing envelope metastability.
Sci Adv, 4, 2018
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3TGS
 | | Crystal structure of HIV-1 clade C strain C1086 gp120 core in complex with NBD-556 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 core, N-(4-chlorophenyl)-N'-(2,2,6,6-tetramethylpiperidin-4-yl)ethanediamide | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3TGQ
 | | Crystal structure of unliganded HIV-1 clade B strain YU2 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 YU2 gp120 | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2023-09-13 | | Method: | X-RAY DIFFRACTION (3.4 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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8WYP
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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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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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3TGT
 | | Crystal structure of unliganded HIV-1 clade A/E strain 93TH057 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, HIV-1 clade A/E 93TH057 gp120 | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (1.9 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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3TGR
 | | Crystal structure of unliganded HIV-1 clade C strain C1086 gp120 core | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, HIV-1 clade C1086 gp120 | | Authors: | Kwon, Y.D, Kwong, P.D. | | Deposit date: | 2011-08-17 | | Release date: | 2012-04-04 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.8 Å) | | Cite: | Unliganded HIV-1 gp120 core structures assume the CD4-bound conformation with regulation by quaternary interactions and variable loops.
Proc.Natl.Acad.Sci.USA, 109, 2012
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5FFG
 | | Crystal structure of integrin alpha V beta 6 head | | Descriptor: | 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Dong, X, Springer, T.A. | | Deposit date: | 2015-12-18 | | Release date: | 2017-01-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.25 Å) | | Cite: | Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
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8HL9
 | | Crystal structure of Galectin-8 C-CRD with part of linker | | Descriptor: | Galectin-8 | | Authors: | Si, Y.L. | | Deposit date: | 2022-11-29 | | Release date: | 2023-07-05 | | Last modified: | 2024-05-29 | | Method: | X-RAY DIFFRACTION (1.6 Å) | | Cite: | Linker remodels human Galectin-8 structure and regulates its hemagglutination and pro-apoptotic activity.
Int.J.Biol.Macromol., 245, 2023
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5FFO
 | | Integrin alpha V beta 6 in complex with pro-TGF-beta | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Dong, X, Zhao, B, Springer, T.A. | | Deposit date: | 2015-12-18 | | Release date: | 2017-01-25 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (3.49 Å) | | Cite: | Force interacts with macromolecular structure in activation of TGF-beta.
Nature, 542, 2017
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5HDB
 | | Integrin alphaIIbbeta3 in complex with Ro-435054 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, CALCIUM ION, ... | | Authors: | Lin, F.Y. | | Deposit date: | 2016-01-05 | | Release date: | 2016-02-03 | | Last modified: | 2020-07-29 | | Method: | X-RAY DIFFRACTION (2.7012 Å) | | Cite: | beta-Subunit Binding Is Sufficient for Ligands to Open the Integrin alpha IIb beta 3 Headpiece.
J.Biol.Chem., 291, 2016
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4I3R
 | | Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P3221 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of VRC-PG04 Fab, Light chain of VRC-PG04 Fab, ... | | Authors: | Joyce, M.G, Biertumpfel, C, Nabel, G.J, Kwong, P.D. | | Deposit date: | 2012-11-26 | | Release date: | 2013-01-09 | | Last modified: | 2023-09-20 | | Method: | X-RAY DIFFRACTION (3 Å) | | Cite: | Outer Domain of HIV-1 gp120: Antigenic Optimization, Structural Malleability, and Crystal Structure with Antibody VRC-PG04.
J.Virol., 87, 2013
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4I3S
 | | Crystal structure of the outer domain of HIV-1 gp120 in complex with VRC-PG04 space group P21 | | Descriptor: | CALCIUM ION, Heavy chain of VRC-PG04 Fab, Light chain of VRC-PG04 Fab, ... | | Authors: | Joyce, M.G, Biertumpfel, C, Nabel, G.J, Kwong, P.D. | | Deposit date: | 2012-11-26 | | Release date: | 2013-01-09 | | Last modified: | 2023-12-27 | | Method: | X-RAY DIFFRACTION (2.85 Å) | | Cite: | Outer Domain of HIV-1 gp120: Antigenic Optimization, Structural Malleability, and Crystal Structure with Antibody VRC-PG04.
J.Virol., 87, 2013
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8KEG
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5JS9
 | | Uncleaved prefusion optimized gp140 trimer with an engineered 8-residue HR1 turn bound to broadly neutralizing antibodies 8ANC195 and PGT128 | | Descriptor: | 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ... | | Authors: | Kong, L, Wilson, I.A. | | Deposit date: | 2016-05-07 | | Release date: | 2016-07-13 | | Last modified: | 2023-09-27 | | Method: | X-RAY DIFFRACTION (6.918 Å) | | Cite: | Uncleaved prefusion-optimized gp140 trimers derived from analysis of HIV-1 envelope metastability.
Nat Commun, 7, 2016
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8KEC
 | | Cyanophage A-1(L) tail fiber | | Descriptor: | Long tail fiber, short tail fiber | | Authors: | Yu, R.C, Li, Q, Zhou, C.Z. | | Deposit date: | 2023-08-11 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.9 Å) | | Cite: | Structure of the intact tail machine of Anabaena myophage A-1(L).
Nat Commun, 15, 2024
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8KE9
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8KEE
 | | Cyanophage A-1(L) sheath-tube | | Descriptor: | sheath, tube | | Authors: | Yu, R.C, Li, Q, Zhou, C.Z. | | Deposit date: | 2023-08-11 | | Release date: | 2024-04-10 | | Method: | ELECTRON MICROSCOPY (3.26 Å) | | Cite: | Structure of the intact tail machine of Anabaena myophage A-1(L).
Nat Commun, 15, 2024
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