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PDB: 459 results

4Q7B
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BU of 4q7b by Molmil
Human Aldose Reductase complexed with a ligand with an IDD structure ([2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid) at 1.19 A
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, [2-(benzylcarbamoyl)-5-fluorophenoxy]acetic acid
Authors:Rechlin, C, Heine, A, Klebe, G.
Deposit date:2014-04-24
Release date:2015-06-10
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.19 Å)
Cite: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
Descriptor: Beta crystallin B2
Authors:Slingsby, C, Smith, M.A, Bateman, O.A.
Deposit date:2005-02-10
Release date:2006-01-31
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, DNA/RNA-BINDING PROTEIN ALBA 1, DNA/RNA-BINDING PROTEIN ALBA 2
Authors:Jelinska, C, Conroy, M.J, Craven, C.J, Bullough, P.A, Waltho, J.P, Taylor, G.L, White, M.F.
Deposit date:2005-02-22
Release date:2005-07-14
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: NA(+)/H(+) ANTIPORTER 1
Authors:Paulino, C, Woehlert, D, Yildiz, O, Kuhlbrandt, W.
Deposit date:2014-04-25
Release date:2014-12-10
Last modified:2023-12-20
Method:ELECTRON CRYSTALLOGRAPHY (6 Å)
Cite:3D Em Map of the Sodium Proton Antiporter Mjnhap1 from Methanocaldococcus Jannaschii
Elife, 3, 2014
8Y2U
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BU of 8y2u by Molmil
Crystal structure of 3C protease from coxsackievirus B4
Descriptor: Protease 3C
Authors:Jiang, H.H, Lin, C, Zhang, J, Li, J.
Deposit date:2024-01-27
Release date:2024-08-14
Method:X-RAY DIFFRACTION (2.01 Å)
Cite: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
Descriptor: Conserved hypothetical membrane protein, Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, ...
Authors:Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
Deposit date:2021-02-25
Release date:2021-08-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite: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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BU of 7nnt by Molmil
Cryo-EM structure of the folate-specific ECF transporter complex in DDM micelles
Descriptor: Energy-coupling factor transporter ATP-binding protein EcfA1, Energy-coupling factor transporter ATP-binding protein EcfA2, Energy-coupling factor transporter transmembrane protein EcfT, ...
Authors:Thangaratnarajah, C, Rheinberger, J, Paulino, C, Slotboom, D.J.
Deposit date:2021-02-25
Release date:2021-08-18
Last modified:2024-07-10
Method:ELECTRON MICROSCOPY (3.4 Å)
Cite: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
Descriptor: 3F2 Antibody heavy chain, 3F2 Antibody light chain, Mesothelin, ...
Authors: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.
Deposit date:2022-05-20
Release date:2023-06-07
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (4.31 Å)
Cite: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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BU of 8cyh by Molmil
Novel Anti-Mesothelin Antibodies Enable Crystallography of the Intact Mesothelin Ectodo- main and Engineering of Potent, T cell-engaging Bispecific Therapeutics
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, A12 antibody heavy chain, A12 antibody light chain, ...
Authors: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.
Deposit date:2022-05-23
Release date:2023-06-07
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.38 Å)
Cite: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
Descriptor: Mesothelin, cleaved form, SULFATE ION, ...
Authors: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.
Deposit date:2022-05-24
Release date:2023-06-07
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, Methylated-DNA--protein-cysteine methyltransferase,Cryptochrome-1 fusion, Protein timeless,Methylated-DNA--protein-cysteine methyltransferase fusion
Authors:Feng, S, Lin, C, DeOliveira, C.C, Crane, B.R.
Deposit date:2022-06-17
Release date:2023-02-15
Last modified:2024-06-12
Method:ELECTRON MICROSCOPY (3.3 Å)
Cite:Cryptochrome-Timeless structure reveals circadian clock timing mechanisms.
Nature, 617, 2023
6JJ0
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BU of 6jj0 by Molmil
NMR structure of the 1:1 complex of a carbazole derivative BMVC bound to c-MYC G-quadruplex
Descriptor: 3,6-bis[(E)-2-(1-methylpyridin-1-ium-4-yl)ethenyl]-9H-carbazole, MycG4
Authors:Liu, W, Lin, C, Yang, D.
Deposit date:2019-02-24
Release date:2019-10-30
Last modified:2024-05-15
Method:SOLUTION NMR
Cite: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.
Descriptor: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
Authors:Svidritskiy, E, Ling, C, Ermolenko, D.N, Korostelev, A.A.
Deposit date:2013-06-12
Release date:2014-07-09
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (3.4 Å)
Cite: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
Descriptor: 2-[2-(4-methoxypyridin-2-yl)ethyl]-3H-imidazo[4,5-b]pyridine, 5,6,7,8-TETRAHYDROBIOPTERIN, Nitric oxide synthase, ...
Authors:Graedler, U, Fuchss, T, Ulrich, W.R, Boer, R, Strub, A, Hesslinger, C, Anezo, C, Diederichs, K, Zaliani, A.
Deposit date:2010-07-09
Release date:2011-06-22
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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.
Descriptor: Carbonic anhydrase 2, N-[2-hydroxy-3-nitro-5-(nitrosulfonyl)phenyl]-N'-(pentafluorophenyl)urea, ZINC ION
Authors:Singh, S, McKenna, R, Supuran, C.T, Nocentini, A, Lomelino, C, Lucarini, E, Bartolucci, G, Mannelli, L.D.C, Ghelardini, C, Gratteri, P.
Deposit date:2018-08-08
Release date:2018-11-28
Last modified:2024-05-01
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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
Descriptor: 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.91 Å)
Cite: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
Descriptor: 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-04-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.68 Å)
Cite: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
Descriptor: 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Crystal structure of SARS-Cov-2 main protease G15S mutant in complex with PF00835231
To Be Published
8J32
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BU of 8j32 by Molmil
Crystal structure of SARS-Cov-2 main protease in complex with PF00835231
Descriptor: 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-04-17
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of SARS-Cov-2 main protease in complex with PF00835231
To Be Published
8J38
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BU of 8j38 by Molmil
Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231
Descriptor: 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Crystal structure of SARS-Cov-2 main protease P132H mutant in complex with PF00835231
To Be Published
8J3B
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BU of 8j3b by Molmil
Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231
Descriptor: 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-04-17
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of SARS-Cov-2 main protease S46F mutant in complex with PF00835231
To Be Published
8J39
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BU of 8j39 by Molmil
Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231
Descriptor: 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-04-17
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.66 Å)
Cite:Crystal structure of SARS-Cov-2 main protease V186F mutant in complex with PF00835231
To Be Published
8J34
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BU of 8j34 by Molmil
Crystal structure of MERS main protease in complex with PF00835231
Descriptor: 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-04-17
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure of MERS main protease in complex with PF00835231
To Be Published
8J36
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BU of 8j36 by Molmil
Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231
Descriptor: 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
Authors:Zhou, X.L, Lin, C, Zou, X.F, Zhang, J, Li, J.
Deposit date:2023-04-16
Release date:2024-05-01
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.21 Å)
Cite:Crystal structure of SARS-Cov-2 main protease M49I mutant in complex with PF00835231
To Be Published
4LX2
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BU of 4lx2 by Molmil
Crystal structure of Myo5a globular tail domain in complex with melanophilin GTBD
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Melanophilin, Unconventional myosin-Va
Authors:Pylypenko, O, Attanda, W, Gauquelin, C, Houdusse, A.
Deposit date:2013-07-29
Release date:2013-11-20
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis of myosin V Rab GTPase-dependent cargo recognition.
Proc.Natl.Acad.Sci.USA, 110, 2013

227111

数据于2024-11-06公开中

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