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PDB: 459 件
4Q7B
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Human Aldose Reductase complexed with a ligand with an IDD structure ([2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid) at 1.19 A
分子名称: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
著者Rechlin, C, Heine, A, Klebe, G.
登録日2014-04-24
公開日2015-06-10
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.19 Å)
主引用文献Aldose Reductase: How expensive is the opening of the specificity pocket? IDD ligands under investigation
To be Published
1YTQ
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BU of 1ytq by Molmil
Structure of Native Human Beta B2 Crystallin
分子名称: Beta crystallin B2
著者Slingsby, C, Smith, M.A, Bateman, O.A.
登録日2005-02-10
公開日2006-01-31
最終更新日2024-03-13
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Mutation of interfaces in domain-swapped human betaB2-crystallin
Protein Sci., 16, 2007
2BKY
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BU of 2bky by Molmil
Crystal structure of the Alba1:Alba2 heterodimer from sulfolobus solfataricus
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA/RNA-BINDING PROTEIN ALBA 1, DNA/RNA-BINDING PROTEIN ALBA 2
著者Jelinska, C, Conroy, M.J, Craven, C.J, Bullough, P.A, Waltho, J.P, Taylor, G.L, White, M.F.
登録日2005-02-22
公開日2005-07-14
最終更新日2024-05-08
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Obligate Heterodimerization of the Archaeal Alba2 Protein with Alba1 Provides a Mechanism for Control of DNA Packaging.
Structure, 13, 2005
4D0A
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BU of 4d0a by Molmil
3D EM map of the sodium proton antiporter MjNhaP1 from Methanocaldococcus jannaschii
分子名称: NA(+)/H(+) ANTIPORTER 1
著者Paulino, C, Woehlert, D, Yildiz, O, Kuhlbrandt, W.
登録日2014-04-25
公開日2014-12-10
最終更新日2023-12-20
実験手法ELECTRON CRYSTALLOGRAPHY (6 Å)
主引用文献3D Em Map of the Sodium Proton Antiporter Mjnhap1 from Methanocaldococcus Jannaschii
Elife, 3, 2014
8Y2U
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Crystal structure of 3C protease from coxsackievirus B4
分子名称: Protease 3C
著者Jiang, H.H, Lin, C, Zhang, J, Li, J.
登録日2024-01-27
公開日2024-08-14
実験手法X-RAY DIFFRACTION (2.01 Å)
主引用文献Crystal structures of the 3C proteases from Coxsackievirus B3 and B4.
Acta Crystallogr.,Sect.F, 80, 2024
7NNU
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BU of 7nnu by Molmil
Cryo-EM structure of the folate-specific ECF transporter complex in MSP2N2 lipid nanodiscs
分子名称: Conserved hypothetical membrane protein, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ...
著者Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
登録日2021-02-25
公開日2021-08-18
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (2.7 Å)
主引用文献Insights into the bilayer-mediated toppling mechanism of a folate-specific ECF transporter by cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
7NNT
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Cryo-EM structure of the folate-specific ECF transporter complex in DDM micelles
分子名称: Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ...
著者Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
登録日2021-02-25
公開日2021-08-18
最終更新日2024-07-10
実験手法ELECTRON MICROSCOPY (3.4 Å)
主引用文献Insights into the bilayer-mediated toppling mechanism of a folate-specific ECF transporter by cryo-EM.
Proc.Natl.Acad.Sci.USA, 118, 2021
8CXC
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BU of 8cxc by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
分子名称: 3F2 Antibody heavy chain, 3F2 Antibody light chain, Mesothelin, ...
著者Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
登録日2022-05-20
公開日2023-06-07
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (4.31 Å)
主引用文献Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
8CYH
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Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, A12 antibody heavy chain, A12 antibody light chain, ...
著者Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
登録日2022-05-23
公開日2023-06-07
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (3.38 Å)
主引用文献Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
8CZ8
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BU of 8cz8 by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
分子名称: Mesothelin, cleaved form, SULFATE ION, ...
著者Bandaranayake, A.D, Rupert, P.B, Lin, I, Pilat, K, Ruff, R.O, Friend, D.J, Chan, M.K, Clarke, M, Carter, J, Meshinchi, S, Mehlin, C, Olson, J.M, Strong, R.K, Correnti, C.E.
登録日2022-05-24
公開日2023-06-07
最終更新日2024-10-23
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Novel mesothelin antibodies enable crystallography of the intact mesothelin ectodomain and engineering of potent, T cell-engaging bispecific therapeutics
Front. Drug Discov., 3, 2023
8DD7
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BU of 8dd7 by Molmil
The Cryo-EM structure of Drosophila Cryptochrome in complex with Timeless
分子名称: FLAVIN-ADENINE DINUCLEOTIDE, Methylated-DNA--protein-cysteine methyltransferase,Cryptochrome-1 fusion, Protein timeless,Methylated-DNA--protein-cysteine methyltransferase fusion
著者Feng, S, Lin, C, DeOliveira, C.C, Crane, B.R.
登録日2022-06-17
公開日2023-02-15
最終更新日2024-06-12
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Cryptochrome-Timeless structure reveals circadian clock timing mechanisms.
Nature, 617, 2023
6JJ0
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NMR structure of the 1:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex
分子名称: 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole, MycG4
著者Liu, W, Lin, C, Yang, D.
登録日2019-02-24
公開日2019-10-30
最終更新日2024-05-15
実験手法SOLUTION NMR
主引用文献Structures of 1:1 and 2:1 complexes of BMVC and MYC promoter G-quadruplex reveal a mechanism of ligand conformation adjustment for G4-recognition.
Nucleic Acids Res., 47, 2019
4V9Q
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BU of 4v9q by Molmil
Crystal Structure of Blasticidin S Bound to Thermus Thermophilus 70S Ribosome.
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Svidritskiy, E, Ling, C, Ermolenko, D.N, Korostelev, A.A.
登録日2013-06-12
公開日2014-07-09
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (3.4 Å)
主引用文献Blasticidin S inhibits translation by trapping deformed tRNA on the ribosome.
Proc.Natl.Acad.Sci.USA, 110, 2013
3NW2
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BU of 3nw2 by Molmil
Novel nanomolar Imidazopyridines as selective Nitric Oxide Synthase (iNOS) inhibitors: SAR and structural insights
分子名称: 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
著者Graedler, U, Fuchss, T, Ulrich, W.R, Boer, R, Strub, A, Hesslinger, C, Anezo, C, Diederichs, K, Zaliani, A.
登録日2010-07-09
公開日2011-06-22
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Novel nanomolar imidazo[4,5-b]pyridines as selective nitric oxide synthase (iNOS) inhibitors: SAR and structural insights
Bioorg.Med.Chem.Lett., 21, 2011
6ECZ
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BU of 6ecz by Molmil
Bioreductive 4-hydroxy-3-nitro-5-ureido-benzenesulfonamides selectively target the tumor-associated carbonic anhydrase isoforms IX and XII and show hypoxia-enhanced cytotoxicity against human cancer cell lines.
分子名称: Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION
著者Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P.
登録日2018-08-08
公開日2018-11-28
最終更新日2024-05-01
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献4-Hydroxy-3-nitro-5-ureido-benzenesulfonamides Selectively Target the Tumor-Associated Carbonic Anhydrase Isoforms IX and XII Showing Hypoxia-Enhanced Antiproliferative Profiles.
J. Med. Chem., 61, 2018
8J3A
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BU of 8j3a by Molmil
Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.91 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease Y54C mutant in complex with PF00835231
To Be Published
8J37
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BU of 8j37 by Molmil
Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.68 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease K90R mutant in complex with PF00835231
To Be Published
8J35
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BU of 8j35 by Molmil
Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.79 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231
To Be Published
8J32
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Crystal structure of SARS-Cov-2 main protease in complex with PF00835231
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease in complex with PF00835231
To Be Published
8J38
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Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.72 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231
To Be Published
8J3B
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Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (1.64 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231
To Be Published
8J39
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Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
最終更新日2024-10-30
実験手法X-RAY DIFFRACTION (1.66 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231
To Be Published
8J34
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Crystal structure of MERS main protease in complex with PF00835231
分子名称: N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide, ORF1a
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-04-17
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Crystal structure of MERS main protease in complex with PF00835231
To Be Published
8J36
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Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231
分子名称: 3C-like proteinase nsp5, N-[(2S)-1-({(2S,3S)-3,4-dihydroxy-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl}amino)-4-methyl-1-oxopentan-2-yl]-4-methoxy-1H-indole-2-carboxamide
著者Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
登録日2023-04-16
公開日2024-05-01
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231
To Be Published
4LX2
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Crystal structure of Myo5a globular tail domain in complex with melanophilin GTBD
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Melanophilin, Unconventional myosin-Va
著者Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A.
登録日2013-07-29
公開日2013-11-20
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (1.5 Å)
主引用文献Structural basis of myosin V Rab GTPase-dependent cargo recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013

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