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1GNO
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BU of 1gno by Molmil
HIV-1 PROTEASE (WILD TYPE) COMPLEXED WITH U89360E (INHIBITOR)
Descriptor: HIV-1 PROTEASE, N-[[1-[N-ACETAMIDYL]-[1-CYCLOHEXYLMETHYL-2-HYDROXY-4-ISOPROPYL]-BUT-4-YL]-CARBONYL]-GLUTAMINYL-ARGINYL-AMIDE
Authors:Hong, L, Treharne, A, Hartsuck, J.A, Foundling, S, Tang, J.
Deposit date:1996-05-04
Release date:1996-11-08
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structures of complexes of a peptidic inhibitor with wild-type and two mutant HIV-1 proteases.
Biochemistry, 35, 1996
8HUX
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BU of 8hux by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with S217622
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:Li, W.W, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUR
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BU of 8hur by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with S217622
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:Zhou, X.L, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUS
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BU of 8hus by Molmil
Crystal structure of SARS main protease in complex with S217622
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:Lin, C, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUV
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BU of 8huv by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with S217622
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:Zeng, P, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUU
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BU of 8huu by Molmil
Crystal structure of HCoV-NL63 main protease with S217622
Descriptor: 3C-like proteinase, 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:Zeng, X.Y, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.71 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8HUT
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BU of 8hut by Molmil
Crystal structure of MERS main protease in complex with S217622
Descriptor: 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, ORF1a
Authors:Lin, C, Zhang, J, Li, J.
Deposit date:2022-12-24
Release date:2023-06-21
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1.98 Å)
Cite:Structural basis for the inhibition of coronaviral main proteases by ensitrelvir.
Structure, 31, 2023
8H03
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BU of 8h03 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a preclinical Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-09-28
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
8H04
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BU of 8h04 by Molmil
Major polymorph in alpha-synuclein fibril seeded by cerebrospinal fluid from a postmortal Parkinson's disease patient
Descriptor: Alpha-synuclein
Authors:Fan, Y, Sun, Y.P, Wang, J, Liu, C.
Deposit date:2022-09-28
Release date:2022-11-30
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Conformational change of alpha-synuclein fibrils in cerebrospinal fluid from different clinical phases of Parkinson's disease.
Structure, 31, 2023
1QNZ
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BU of 1qnz by Molmil
NMR structure of the 0.5b anti-HIV antibody complex with the gp120 V3 peptide
Descriptor: 0.5B ANTIBODY (HEAVY CHAIN), 0.5B ANTIBODY (LIGHT CHAIN), GP120
Authors:Tugarinov, V, Zvi, A, Levy, R, Hayek, Y, Matsushita, S, Anglister, J.
Deposit date:1999-10-26
Release date:2000-06-03
Last modified:2018-01-17
Method:SOLUTION NMR
Cite:NMR Structure of an Anti-Gp120 Antibody Complex with a V3 Peptide Reveals a Surface Important for Co-Receptor Binding
Structure, 8, 2000
4MM2
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BU of 4mm2 by Molmil
Crystal structure of yeast primase catalytic subunit
Descriptor: CADMIUM ION, CITRIC ACID, DNA primase small subunit
Authors:Park, K.R, An, J.Y, Lee, Y, Youn, H.S, Lee, J.G, Kang, J.Y, Kim, T.G, Lim, J.J, Eom, S.H, Wang, J.
Deposit date:2013-09-07
Release date:2014-09-10
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Crystal structure of yeast primase catalytic subunit
To be Published
5XKG
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BU of 5xkg by Molmil
Crystal structure of T2R-TTL-CH1 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(3-azanyl-4-methoxy-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-04-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5XI5
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BU of 5xi5 by Molmil
Crystal structure of T2R-TTL-PO5 complex
Descriptor: (3Z,6Z)-3-benzylidene-6-[(5-tert-butyl-1H-imidazol-4-yl)methylidene]piperazine-2,5-dione, 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, CALCIUM ION, ...
Authors:Chu, Y, Wang, Y, Yang, J, Li, W.
Deposit date:2017-04-26
Release date:2017-10-18
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Synthesis, biological evaluation and X-ray structure of anti-microtubule agents
To Be Published
5XKH
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BU of 5xkh by Molmil
Crystal structure of T2R-TTL-CF1 complex
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 4-[(4-methoxy-3-oxidanyl-phenyl)-methyl-amino]chromen-2-one, CALCIUM ION, ...
Authors:Wang, Y, Yang, J, Wang, T, Chen, L.
Deposit date:2017-05-07
Release date:2018-06-20
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.25 Å)
Cite:Identification of a powerful and reversible microtubule-inhibitor with efficacy against multidrug-resistant tumors
To Be Published
5X6G
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BU of 5x6g by Molmil
Crystal Structure of SMAD5-MH1/palindromic SBE DNA complex
Descriptor: DNA (5'-D(P*AP*TP*CP*AP*GP*TP*CP*TP*AP*GP*AP*CP*AP*TP*A)-3'), DNA (5'-D(P*GP*TP*AP*TP*GP*TP*CP*TP*AP*GP*AP*CP*TP*GP*A)-3'), Mothers against decapentaplegic homolog 5, ...
Authors:Chai, N, Wang, J, Wang, Z.X, Wu, J.W.
Deposit date:2017-02-21
Release date:2017-03-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.05 Å)
Cite:Structural basis for the Smad5 MH1 domain to recognize different DNA sequences.
Nucleic Acids Res., 43, 2015
5X6H
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BU of 5x6h by Molmil
Crystal Structure of SMAD5-MH1/GC-BRE DNA complex
Descriptor: DNA (5'-D(P*GP*TP*AP*TP*GP*GP*CP*GP*CP*CP*AP*TP*AP*C)-3'), Mothers against decapentaplegic homolog 5, ZINC ION
Authors:Chai, N, Wang, J, Wang, Z.X, Wu, J.W.
Deposit date:2017-02-22
Release date:2017-03-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for the Smad5 MH1 domain to recognize different DNA sequences.
Nucleic Acids Res., 43, 2015
5X6M
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BU of 5x6m by Molmil
Crystal Structure of SMAD5-MH1 in complex with a composite DNA sequence
Descriptor: DNA (5'-D(P*AP*TP*CP*AP*GP*AP*CP*TP*GP*CP*CP*GP*GP*CP*AP*GP*TP*CP*TP*AP*TP*A)-3'), DNA (5'-D(P*TP*TP*AP*TP*AP*GP*AP*CP*TP*GP*CP*CP*GP*GP*CP*AP*GP*TP*CP*TP*GP*A)-3'), Mothers against decapentaplegic homolog 5, ...
Authors:Chai, N, Wang, J, Wang, Z.X, Wu, J.W.
Deposit date:2017-02-22
Release date:2017-03-15
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Structural basis for the Smad5 MH1 domain to recognize different DNA sequences.
Nucleic Acids Res., 43, 2015
4DPG
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BU of 4dpg by Molmil
Crystal Structure of Human LysRS: P38/AIMP2 Complex I
Descriptor: ALANINE, Aminoacyl tRNA synthase complex-interacting multifunctional protein 2, DIPHOSPHOMETHYLPHOSPHONIC ACID ADENOSYL ESTER, ...
Authors:Fang, P, Wang, J, Bennett, S.P, Guo, M.
Deposit date:2012-02-13
Release date:2013-02-13
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.844 Å)
Cite:Structural Switch of Lysyl-tRNA Synthetase between Translation and Transcription.
Mol.Cell, 49, 2013
7SQE
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BU of 7sqe by Molmil
Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor
Descriptor: (1R)-N-[(1H-indol-3-yl)methyl]-N-methyl-1-(naphthalen-1-yl)ethan-1-amine, 1,2-ETHANEDIOL, CHLORIDE ION, ...
Authors:Osipiuk, J, Tesar, C, Endres, M, Wang, J, Joachimiak, A, Center for Structural Genomics of Infectious Diseases (CSGID)
Deposit date:2021-11-05
Release date:2021-11-17
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2 Å)
Cite:Papain-Like Protease of SARS CoV-2, C111S mutant, in complex with Jun9-84-3 inhibitor
To be Published
7SJ1
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BU of 7sj1 by Molmil
Structure of shaker-W434F
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, POTASSIUM ION, Potassium voltage-gated channel protein Shaker
Authors:Tan, X, Bae, C, Stix, R, Fernandez, A.I, Huffer, K, Chang, T, Jiang, J, Faraldo-Gomez, J.D, Swartz, K.J.
Deposit date:2021-10-15
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.9 Å)
Cite:Structure of the Shaker Kv channel and mechanism of slow C-type inactivation.
Sci Adv, 8, 2022
7SIP
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BU of 7sip by Molmil
Structure of shaker-IR
Descriptor: (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, POTASSIUM ION, Potassium voltage-gated channel protein Shaker
Authors:Tan, X, Bae, C, Stix, R, Fernandez, A.I, Huffer, K, Chang, T, Jiang, J, Faraldo-Gomez, J.D, Swartz, K.J.
Deposit date:2021-10-14
Release date:2022-03-30
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Structure of the Shaker Kv channel and mechanism of slow C-type inactivation.
Sci Adv, 8, 2022
4DNV
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BU of 4dnv by Molmil
Crystal structure of the W285F mutant of UVB-resistance protein UVR8
Descriptor: AT5g63860/MGI19_6
Authors:Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Zhang, J, Wang, J, Shi, Y.
Deposit date:2012-02-09
Release date:2012-03-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.999 Å)
Cite:Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
4DNW
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BU of 4dnw by Molmil
Crystal structure of UVB-resistance protein UVR8
Descriptor: AT5g63860/MGI19_6
Authors:Wu, D, Hu, Q, Yan, Z, Chen, W, Yan, C, Wang, J, Shi, Y.
Deposit date:2012-02-09
Release date:2012-03-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.773 Å)
Cite:Structural basis of ultraviolet-B perception by UVR8.
Nature, 484, 2012
6FV6
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BU of 6fv6 by Molmil
Monomer structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state
Descriptor: Aq128
Authors:Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H.
Deposit date:2018-03-01
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3.8 Å)
Cite:Monomer structure of Aq128 in the outward-facing state
To Be Published
6FV8
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BU of 6fv8 by Molmil
Dimer structure of the MATE family multidrug resistance transporter Aq_128 from Aquifex aeolicus in the outward-facing state
Descriptor: Aq128
Authors:Zhao, J, Safarian, S, Thielmann, Y, Xie, H, Wang, J, Michel, H.
Deposit date:2018-03-01
Release date:2019-03-20
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (3 Å)
Cite:Dimer structure of the MATE family multidrug resistance transporter Aq128 in the outward-facing state
To Be Published

223532

건을2024-08-07부터공개중

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