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PDB: 358 results

8F7Q
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BU of 8f7q by Molmil
Gi bound mu-opioid receptor in complex with beta-endorphin
Descriptor: Beta-endorphin, CHOLESTEROL, Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, ...
Authors:Wang, Y, Zhuang, Y, DiBerto, J.F, Zhou, X.E, Schmitz, G.P, Yuan, Q, Jain, M.K, Liu, W, Melcher, K, Jiang, Y, Roth, B.L, Xu, H.E.
Deposit date:2022-11-20
Release date:2022-12-14
Last modified:2023-02-01
Method:ELECTRON MICROSCOPY (3.22 Å)
Cite:Structures of the entire human opioid receptor family.
Cell, 186, 2023
3TEF
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BU of 3tef by Molmil
Crystal Structure of the Periplasmic Catecholate-Siderophore Binding Protein VctP from Vibrio Cholerae
Descriptor: Iron(III) ABC transporter, periplasmic iron-compound-binding protein
Authors:Liu, X, Wang, Z, Liu, S, Li, N, Chen, Y, Zhu, C, Zhu, D, Wei, T, Huang, Y, Xu, S, Gu, L.
Deposit date:2011-08-13
Release date:2012-08-15
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.698 Å)
Cite:Crystal structure of periplasmic catecholate-siderophore binding protein VctP from Vibrio cholerae at 1.7 A resolution
Febs Lett., 586, 2012
6LYR
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BU of 6lyr by Molmil
Structure of the BAM complex
Descriptor: Outer membrane protein assembly factor BamA, Outer membrane protein assembly factor BamB, Outer membrane protein assembly factor BamC, ...
Authors:Xiao, L, Huang, Y.
Deposit date:2020-02-15
Release date:2021-01-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Structures of the beta-barrel assembly machine recognizing outer membrane protein substrates.
Faseb J., 35, 2021
3FER
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BU of 3fer by Molmil
Crystal structure of n-terminal actin-binding domain from human filamin b (tandem ch-domains). northeast structural genomics consortium target hr5571a.
Descriptor: ACETIC ACID, Filamin-B
Authors:Kuzin, A.P, Abashidze, M, Seetharaman, R, Shastry, R, Sahdev, S, Ciccosanti, C, Xiao, R, Everett, J.K, Huang, Y, Acton, T, Rost, B, Montelione, G.T, Tong, L, Hunt, J.F, Northeast Structural Genomics Consortium (NESG)
Deposit date:2008-11-30
Release date:2009-01-06
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of n-terminal actin-binding domain from human filamin b (tandem ch-domains). northeast structural genomics consortium target hr5571a.
To be Published
1KIA
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BU of 1kia by Molmil
Crystal structure of glycine N-methyltransferase complexed with S-adenosylmethionine and acetate
Descriptor: ACETATE ION, Glycine N-methyltransferase, S-ADENOSYLMETHIONINE
Authors:Takusagawa, F, Huang, Y.
Deposit date:2001-12-02
Release date:2003-06-10
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of glycine N-methyltransferase complexed with S-adenosylmethionine and acetate
To be Published
3K2S
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BU of 3k2s by Molmil
Solution structure of double super helix model
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, Apolipoprotein A-I, CHOLESTEROL
Authors:Wu, Z, Gogonea, V, Lee, X, Wagner, M.A, Li, X.-M, Huang, Y, Undurti, A, May, R.P, Haertlein, M, Moulin, M, Gutsche, I, Zaccai, G, Didonato, J.A, Hazen, L.S.
Deposit date:2009-09-30
Release date:2010-04-07
Last modified:2024-02-21
Method:SOLUTION SCATTERING
Cite:Double superhelix model of high density lipoprotein.
J.Biol.Chem., 284, 2009
6ZGK
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BU of 6zgk by Molmil
GLIC pentameric ligand-gated ion channel, pH 3
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
6ZGD
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BU of 6zgd by Molmil
GLIC pentameric ligand-gated ion channel, pH 7
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
6ZGJ
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BU of 6zgj by Molmil
GLIC pentameric ligand-gated ion channel, pH 5
Descriptor: Proton-gated ion channel
Authors:Rovsnik, U, Zhuang, Y, Forsberg, B.O, Carroni, M, Yvonnesdotter, L, Howard, R.J, Lindahl, E.
Deposit date:2020-06-18
Release date:2021-05-26
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite:Dynamic closed states of a ligand-gated ion channel captured by cryo-EM and simulations.
Life Sci Alliance, 4, 2021
6KG6
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BU of 6kg6 by Molmil
Crystal structure of MavC/UBE2N-Ub complex
Descriptor: MavC, Ubiquitin-40S ribosomal protein S27a, Ubiquitin-conjugating enzyme E2 N
Authors:Wang, Y, Huang, Y, Chang, M, Feng, Y.
Deposit date:2019-07-10
Release date:2020-04-01
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:Structural insights into the mechanism and inhibition of transglutaminase-induced ubiquitination by the Legionella effector MavC.
Nat Commun, 11, 2020
3NTI
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BU of 3nti by Molmil
Crystal structure of Tudor and Aubergine [R15(me2s)] complex
Descriptor: Maternal protein tudor, peptide from Aubergine
Authors:Liu, H.P, Huang, Y, Li, Z.Z, Gong, W.M, Xu, R.M.
Deposit date:2010-07-05
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for methylarginine-dependent recognition of Aubergine by Tudor
Genes Dev., 24, 2010
3NTK
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BU of 3ntk by Molmil
Crystal structure of Tudor
Descriptor: Maternal protein tudor
Authors:Liu, H.P, Huang, Y, Li, Z.Z, Gong, W.M, Xu, R.M.
Deposit date:2010-07-05
Release date:2010-09-15
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for methylarginine-dependent recognition of Aubergine by Tudor
Genes Dev., 24, 2010
7TIV
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BU of 7tiv by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB48
Descriptor: (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-3-cyclohexyl-L-alanyl)amino]-1-hydroxy-3-[(3R)-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION
Authors:Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.08 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIU
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BU of 7tiu by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB46
Descriptor: (1S,2S)-2-[(N-{[(3-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, MAGNESIUM ION, ...
Authors:Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIY
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BU of 7tiy by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-48
Descriptor: (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-[(N-{[(2,4,5-trifluorophenyl)methoxy]carbonyl}-L-leucyl)amino]propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIZ
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BU of 7tiz by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-63
Descriptor: (1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-2-{[N-({[3-(trifluoromethyl)phenyl]methoxy}carbonyl)-L-leucyl]amino}propane-1-sulfonic acid, 1,2-ETHANEDIOL, 3C-like proteinase nsp5, ...
Authors:Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIW
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BU of 7tiw by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB54
Descriptor: (1S,2S)-2-[(N-{[(2-chlorophenyl)methoxy]carbonyl}-L-leucyl)amino]-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, PHOSPHATE ION
Authors:Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIA
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BU of 7tia by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor NK01-14
Descriptor: 3C-like proteinase nsp5, THIOCYANATE ION, benzyl [(2S)-3-cyclopropyl-1-({(2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}amino)-1-oxopropan-2-yl]carbamate
Authors:Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
Deposit date:2022-01-13
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TIX
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BU of 7tix by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor EB56
Descriptor: 3C-like proteinase nsp5, MAGNESIUM ION, N~2~-{[(naphthalen-2-yl)methoxy]carbonyl}-N-{(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl}-L-leucinamide
Authors:Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M.E, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
7TJ0
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BU of 7tj0 by Molmil
Crystal structure of SARS-CoV-2 3CL in complex with inhibitor SL-4-241
Descriptor: (1S,2S)-2-({N-[(benzyloxy)carbonyl]-3-cyclohexyl-L-alanyl}amino)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid, 3C-like proteinase nsp5, ACETATE ION
Authors:Forouhar, F, Liu, H, Iketani, S, Zack, A, Khanizeman, N, Bednarova, E, Fowler, B, Hong, S.J, Mohri, H, Nair, M.S, Huang, Y, Tay, N.E.S, Lee, S, Karan, C, Resnick, S.J, Quinn, C, Li, W, Shion, H, Jurtschenko, C, Lauber, M.A, McDonald, T, Stokes, M, Hurst, B, Rovis, T, Chavez, A, Ho, D.D, Stockwell, B.R.
Deposit date:2022-01-14
Release date:2022-05-04
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.17 Å)
Cite:Development of optimized drug-like small molecule inhibitors of the SARS-CoV-2 3CL protease for treatment of COVID-19.
Nat Commun, 13, 2022
3O72
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BU of 3o72 by Molmil
Crystal structure of EfeB in complex with heme
Descriptor: OXYGEN MOLECULE, PROTOPORPHYRIN IX CONTAINING FE, Redox component of a tripartite ferrous iron transporter
Authors:Liu, X, Du, Q, Wang, Z, Zhu, D, Huang, Y, Li, N, Xu, S, Gu, L.
Deposit date:2010-07-30
Release date:2011-03-16
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Crystal structure and biochemical features of EfeB/YcdB from Escherichia coli O157: ASP235 plays divergent roles in different enzyme-catalyzed processes
J.Biol.Chem., 286, 2011
7CML
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BU of 7cml by Molmil
The Crystal Structure of human JNK2 from Biortus.
Descriptor: Mitogen-activated protein kinase 9
Authors:Wang, F, Lin, D, Cheng, W, Miao, Q, Huang, Y, Shang, H.
Deposit date:2020-07-28
Release date:2020-08-12
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:The Crystal Structure of human JNK2 from Biortus.
To Be Published
7CVP
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BU of 7cvp by Molmil
The Crystal Structure of human PHGDH from Biortus.
Descriptor: D-3-phosphoglycerate dehydrogenase, NICOTINAMIDE-ADENINE-DINUCLEOTIDE
Authors:Wang, F, Lv, Z, Cheng, W, Lin, D, Miao, Q, Huang, Y.
Deposit date:2020-08-26
Release date:2020-09-09
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:The Crystal Structure of human PHGDH from Biortus.
To Be Published
7CA4
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BU of 7ca4 by Molmil
The Crystal Structure of human Bcl-2-like protein 1 from Biortus
Descriptor: Bcl-2-like protein 1, SULFATE ION
Authors:Wang, F, Lv, Z, Lin, D, Huang, Y.
Deposit date:2020-06-08
Release date:2020-07-08
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The Crystal Structure of human Bcl-2-like protein 1 from Biortus.
To Be Published
3NTH
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BU of 3nth by Molmil
Crystal structure of Tudor and Aubergine [R13(me2s)] complex
Descriptor: Maternal protein tudor, peptide from Aubergine
Authors:Liu, H.P, Huang, Y, Li, Z.Z, Gong, W.M, Xu, R.M.
Deposit date:2010-07-05
Release date:2010-09-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structural basis for methylarginine-dependent recognition of Aubergine by Tudor
Genes Dev., 24, 2010

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