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PDB: 463 results

5EU8
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Structure of FIPV main protease in complex with dual inhibitors
Descriptor: 1,2-ETHANEDIOL, 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, ZINC ION, ...
Authors:Wang, F, Chen, C, Liu, X, Yang, K, Xu, X, Yang, H.
Deposit date:2015-11-18
Release date:2015-12-30
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.447 Å)
Cite:Crystal Structure of Feline Infectious Peritonitis Virus Main Protease in Complex with Synergetic Dual Inhibitors
J.Virol., 90, 2015
4ZWJ
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BU of 4zwj by Molmil
Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser
Descriptor: Chimera protein of human Rhodopsin, mouse S-arrestin, and T4 Endolysin
Authors:Kang, Y, Zhou, X.E, Gao, X, He, Y, Liu, W, Ishchenko, A, Barty, A, White, T.A, Yefanov, O, Han, G.W, Xu, Q, de Waal, P.W, Ke, J, Tan, M.H.E, Zhang, C, Moeller, A, West, G.M, Pascal, B, Eps, N.V, Caro, L.N, Vishnivetskiy, S.A, Lee, R.J, Suino-Powell, K.M, Gu, X, Pal, K, Ma, J, Zhi, X, Boutet, S, Williams, G.J, Messerschmidt, M, Gati, C, Zatsepin, N.A, Wang, D, James, D, Basu, S, Roy-Chowdhury, S, Conrad, C, Coe, J, Liu, H, Lisova, S, Kupitz, C, Grotjohann, I, Fromme, R, Jiang, Y, Tan, M, Yang, H, Li, J, Wang, M, Zheng, Z, Li, D, Howe, N, Zhao, Y, Standfuss, J, Diederichs, K, Dong, Y, Potter, C.S, Carragher, B, Caffrey, M, Jiang, H, Chapman, H.N, Spence, J.C.H, Fromme, P, Weierstall, U, Ernst, O.P, Katritch, V, Gurevich, V.V, Griffin, P.R, Hubbell, W.L, Stevens, R.C, Cherezov, V, Melcher, K, Xu, H.E, GPCR Network (GPCR)
Deposit date:2015-05-19
Release date:2015-07-29
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.302 Å)
Cite:Crystal structure of rhodopsin bound to arrestin by femtosecond X-ray laser.
Nature, 523, 2015
6PSL
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BU of 6psl by Molmil
Structure of a N-Me-D-Gln4,D-aza-Thr8,Arg10-teixobactin analogue
Descriptor: CHLORIDE ION, teixobactin analogue
Authors:Nowick, J.S, Yang, H, Pishenko, A, Li, X.
Deposit date:2019-07-12
Release date:2019-11-27
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Design, Synthesis, and Study of Lactam and Ring-Expanded Analogues of Teixobactin.
J.Org.Chem., 85, 2020
5GWY
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BU of 5gwy by Molmil
Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design
Descriptor: 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, main protease
Authors:Wang, F, Chen, C, Tan, W, Yang, K, Yang, H.
Deposit date:2016-09-14
Release date:2017-09-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.852 Å)
Cite:Structure of Main Protease from Human Coronavirus NL63: Insights for Wide Spectrum Anti-Coronavirus Drug Design.
Sci Rep, 6, 2016
2QVO
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BU of 2qvo by Molmil
Crystal structure of AF1382 from Archaeoglobus fulgidus
Descriptor: Uncharacterized protein AF_1382
Authors:Zhu, J, Zhao, M, Fu, Z.-Q, Yang, H, Chang, J, Hao, X, Chen, L, Liu, Z.J, Rose, J.P, Wang, B.C, Southeast Collaboratory for Structural Genomics (SECSG)
Deposit date:2007-08-08
Release date:2007-09-04
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Crystal structure of AF1382 from Archaeoglobus fulgidus.
To be Published
5U78
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BU of 5u78 by Molmil
Crystal structure of ORP8 PH domain in P1211 space group
Descriptor: Oxysterol-binding protein-related protein 8
Authors:Ghai, R, Yang, H.
Deposit date:2016-12-12
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.978 Å)
Cite:ORP5 and ORP8 bind phosphatidylinositol-4, 5-biphosphate (PtdIns(4,5)P 2) and regulate its level at the plasma membrane.
Nat Commun, 8, 2017
5U77
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BU of 5u77 by Molmil
Crystal structure of ORP8 PH domain
Descriptor: FORMIC ACID, N-(2-hydroxyethyl)-N,N-dimethyl-3-sulfopropan-1-aminium, Oxysterol-binding protein-related protein 8
Authors:Ghai, R, Yang, H.
Deposit date:2016-12-11
Release date:2017-10-18
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.157 Å)
Cite:ORP5 and ORP8 bind phosphatidylinositol-4, 5-biphosphate (PtdIns(4,5)P 2) and regulate its level at the plasma membrane.
Nat Commun, 8, 2017
5C56
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BU of 5c56 by Molmil
Crystal structure of USP7/HAUSP in complex with ICP0
Descriptor: Ubiquitin E3 ligase ICP0, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Cheng, J, Li, Z, Gong, R, Fang, J, Yang, Y, Sun, C, Yang, H, Xu, Y.
Deposit date:2015-06-19
Release date:2015-07-08
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.685 Å)
Cite:Molecular mechanism for the substrate recognition of USP7.
Protein Cell, 6, 2015
2VTY
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BU of 2vty by Molmil
Vaccinia virus anti-apoptotic F1L is a novel Bcl-2-like domain swapped dimer
Descriptor: PROTEIN F1
Authors:Kvansakul, M, Yang, H, Fairlie, W.D, Czabotar, P.E, Fischer, S.F, Perugini, M.A, Huang, D.C.S, Colman, P.M.
Deposit date:2008-05-19
Release date:2008-06-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Vaccinia Virus Anti-Apoptotic F1L is a Novel Bcl-2-Like Domain-Swapped Dimer that Binds a Highly Selective Subset of Bh3-Containing Death Ligands.
Cell Death Differ., 15, 2008
5K83
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BU of 5k83 by Molmil
Crystal Structure of a Primate APOBEC3G N-Domain, in Complex with ssDNA
Descriptor: Apolipoprotein B mRNA editing enzyme, catalytic peptide-like 3G,Apolipoprotein B mRNA editing enzyme, catalytic peptide-like 3G, ...
Authors:Xiao, X, Li, S.-X, Yang, H, Chen, X.S.
Deposit date:2016-05-27
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Crystal structures of APOBEC3G N-domain alone and its complex with DNA.
Nat Commun, 7, 2016
5K81
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BU of 5k81 by Molmil
Crystal Structure of a Primate APOBEC3G N-Terminal Domain
Descriptor: Apolipoprotein B mRNA editing enzyme, catalytic peptide-like 3G,Apolipoprotein B mRNA editing enzyme, catalytic peptide-like 3G, ...
Authors:Xiao, X, Li, S.-X, Yang, H, Chen, X.S.
Deposit date:2016-05-27
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.006 Å)
Cite:Crystal structures of APOBEC3G N-domain alone and its complex with DNA.
Nat Commun, 7, 2016
5K82
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BU of 5k82 by Molmil
Crystal Structure of a Primate APOBEC3G N-Terminal Domain
Descriptor: Apolipoprotein B mRNA editing enzyme, catalytic peptide-like 3G,Apolipoprotein B mRNA editing enzyme, catalytic peptide-like 3G, ...
Authors:Xiao, X, Li, S.-X, Yang, H, Chen, X.S.
Deposit date:2016-05-27
Release date:2016-08-10
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.913 Å)
Cite:Crystal structures of APOBEC3G N-domain alone and its complex with DNA.
Nat Commun, 7, 2016
5KK5
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BU of 5kk5 by Molmil
AsCpf1(E993A)-crRNA-DNA ternary complex
Descriptor: CRISPR-associated endonuclease Cpf1, DNA (28-MER), DNA (8-mer), ...
Authors:Gao, P, Yang, H, Rajashankar, K.R, Huang, Z, Patel, D.J.
Deposit date:2016-06-21
Release date:2016-08-10
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (3.289 Å)
Cite:Type V CRISPR-Cas Cpf1 endonuclease employs a unique mechanism for crRNA-mediated target DNA recognition.
Cell Res., 26, 2016
3IU3
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BU of 3iu3 by Molmil
Crystal structure of the Fab fragment of therapeutic antibody Basiliximab in complex with IL-2Ra (CD25) ectodomain
Descriptor: Heavy chain of Fab fragment of Basiliximab, Interleukin-2 receptor alpha chain, Light chain of Fab fragment of Basiliximab, ...
Authors:Du, J, Yang, H, Wang, J, Ding, J.
Deposit date:2009-08-29
Release date:2010-01-26
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structural basis for the blockage of IL-2 signaling by therapeutic antibody basiliximab
J.Immunol., 184, 2010
4NTJ
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BU of 4ntj by Molmil
Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, CHOLESTEROL, P2Y purinoceptor 12,Soluble cytochrome b562,P2Y purinoceptor 12, ...
Authors:Zhang, K, Zhang, J, Gao, Z.-G, Zhang, D, Zhu, L, Han, G.W, Moss, S.M, Paoletta, S, Kiselev, E, Lu, W, Fenalti, G, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2013-12-02
Release date:2014-03-26
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.62 Å)
Cite:Structure of the human P2Y12 receptor in complex with an antithrombotic drug
Nature, 509, 2014
8H3L
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BU of 8h3l by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (T21I and E166V) in Complex with Inhibitor Enstrelvir
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione
Authors:Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H3K
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BU of 8h3k by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) Double Mutant (L50F and E166V) in Complex with Inhibitor Enstrelvir
Descriptor: 3-(4-AMINO-2-METHYL-PYRIMIDIN-5-YLMETHYL)-5-(2-HYDROXY-ETHYL)-4-METHYL-THIAZOL-3-IUM, 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, ...
Authors:Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8H3G
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BU of 8h3g by Molmil
Crystal Structure of SARS-CoV-2 Main Protease (Mpro) E166V Mutant in Complex with Inhibitor Enstrelvir
Descriptor: 3C-like proteinase nsp5, 6-[(6-chloranyl-2-methyl-indazol-5-yl)amino]-3-[(1-methyl-1,2,4-triazol-3-yl)methyl]-1-[[2,4,5-tris(fluoranyl)phenyl]methyl]-1,3,5-triazine-2,4-dione, GLYCEROL
Authors:Wang, H, Lin, M, Duan, Y, Zhang, X, Zhou, H, Bian, Q, Liu, X, Rao, Z, Yang, H.
Deposit date:2022-10-08
Release date:2023-10-11
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.46 Å)
Cite:Molecular mechanisms of SARS-CoV-2 resistance to nirmatrelvir.
Nature, 622, 2023
8HEC
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BU of 8hec by Molmil
SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 2 conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
Deposit date:2022-11-08
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.5 Å)
Cite:Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
8HED
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BU of 8hed by Molmil
Local refinement of the SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
Authors:Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
Deposit date:2022-11-08
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.59 Å)
Cite:Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
8HEB
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BU of 8heb by Molmil
SARS-CoV-2 Spike trimer in complex with RmAb 9H1 Fab in the class 1 conformation
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike glycoprotein, ...
Authors:Guo, H, Gao, Y, Lu, Y, Yang, H, Ji, X.
Deposit date:2022-11-08
Release date:2023-04-26
Method:ELECTRON MICROSCOPY (3.53 Å)
Cite:Mechanism of an RBM-targeted rabbit monoclonal antibody 9H1 neutralizing SARS-CoV-2.
Biochem.Biophys.Res.Commun., 660, 2023
4PY0
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BU of 4py0 by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSATP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(tetrahydrogen triphosphate), P2Y purinoceptor 12, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
4PXZ
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BU of 4pxz by Molmil
Crystal structure of P2Y12 receptor in complex with 2MeSADP
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, 2-(methylsulfanyl)adenosine 5'-(trihydrogen diphosphate), CHOLESTEROL, ...
Authors:Zhang, J, Zhang, K, Gao, Z.G, Paoletta, S, Zhang, D, Han, G.W, Li, T, Ma, L, Zhang, W, Muller, C.E, Yang, H, Jiang, H, Cherezov, V, Katritch, V, Jacobson, K.A, Stevens, R.C, Wu, B, Zhao, Q, GPCR Network (GPCR)
Deposit date:2014-03-25
Release date:2014-04-30
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Agonist-bound structure of the human P2Y12 receptor
Nature, 509, 2014
4QNP
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BU of 4qnp by Molmil
Crystal structure of the 2009 pandemic H1N1 influenza virus neuraminidase with a neutralizing antibody
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:Wan, H.Q, Yang, H, Shore, D.A, Garten, R.J, Couzens, L, Gao, J, Jiang, L.L, Carney, P.J, Villanueva, J, Stevens, J, Eichelberger, M.C.
Deposit date:2014-06-18
Release date:2015-02-11
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural characterization of a protective epitope spanning A(H1N1)pdm09 influenza virus neuraminidase monomers.
Nat Commun, 6, 2015
5XF1
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BU of 5xf1 by Molmil
Structure of the Full-length glucagon class B G protein-coupled receptor
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Zhang, H, Qiao, A, Yang, D, Yang, L, Dai, A, de Graaf, C, Reedtz-Runge, S, Dharmarajan, V, Zhang, H, Han, G.W, Grant, T, Sierra, R, Weierstall, U, Nelson, G, Liu, W, Wu, Y, Ma, L, Cai, X, Lin, G, Wu, X, Geng, Z, Dong, Y, Song, G, Griffin, P, Lau, J, Cherezov, V, Yang, H, Hanson, M, Stevens, R, Jiang, H, Wang, M, Zhao, Q, Wu, B.
Deposit date:2017-04-06
Release date:2017-05-24
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.19 Å)
Cite:Structure of the full-length glucagon class B G-protein-coupled receptor.
Nature, 546, 2017

219869

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