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2QI0
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BU of 2qi0 by Molmil
Crystal structure of protease inhibitor, MIT-1-KK80 in complex with wild type HIV-1 protease
分子名称: N-[(1S,2R)-1-BENZYL-2-HYDROXY-3-{[(3-METHOXYPHENYL)SULFONYL](2-THIENYLMETHYL)AMINO}PROPYL]-3-FLUORO-2-METHYLBENZAMIDE, PHOSPHATE ION, Protease
著者Schiffer, C.A, Nalam, M.N.L.
登録日2007-07-03
公開日2008-04-22
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献HIV-1 protease inhibitors from inverse design in the substrate envelope exhibit subnanomolar binding to drug-resistant variants.
J.Am.Chem.Soc., 130, 2008
2RCF
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BU of 2rcf by Molmil
Carboxysome Shell protein, OrfA from H. Neapolitanus
分子名称: CHLORIDE ION, GLYCEROL, Unidentified carboxysome polypeptide
著者Kerfeld, C.A, Sawaya, M.R, Yeates, T.O.
登録日2007-09-19
公開日2008-04-08
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (2.15 Å)
主引用文献Atomic-level models of the bacterial carboxysome shell.
Science, 319, 2008
2R9M
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BU of 2r9m by Molmil
Cathepsin S complexed with Compound 15
分子名称: Cathepsin S, N-[(1S)-2-[(4-cyano-1-methylpiperidin-4-yl)amino]-1-(cyclohexylmethyl)-2-oxoethyl]morpholine-4-carboxamide
著者Ward, Y.D, Emmanuel, M.J, Thomson, D.S, Liu, W, Bekkali, Y, Frye, L.L, Girardot, M, Morwick, T, Young, E.R.R, Zindell, R, Hrapchak, M, DeTuri, M, White, A, Crane, K.M, White, D.M, Wang, Y, Hao, M.-H, Grygon, C.A, Labadia, M.E, Wildeson, J, Freeman, D, Nelson, R, Capolino, A, Peterson, J.D, Raymond, E.L, Brown, M.L, Spero, D.M.
登録日2007-09-13
公開日2007-12-18
最終更新日2023-08-30
実験手法X-RAY DIFFRACTION (1.97 Å)
主引用文献Design and Synthesis of Reversible Inhibitors of Cathepsin S: alpha,alpha-Disubstitution at the P1 Residue Provides Potent Inhibitors in Cellular Assays and In Vivo Models of Antigen Presentation
To be Published
3LRE
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BU of 3lre by Molmil
Crystal Structure Analysis of Human Kinesin-8 Motor Domain
分子名称: ADENOSINE-5'-DIPHOSPHATE, Kinesin-like protein KIF18A, MAGNESIUM ION
著者Brejc, K, Moores, C.A, Hartman, J.
登録日2010-02-11
公開日2010-11-10
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献Insight into the molecular mechanism of the multitasking kinesin-8 motor.
Embo J., 29, 2010
3LET
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BU of 3let by Molmil
Crystal Structure of Fic domain containing AMPylator, VopS
分子名称: Adenosine monophosphate-protein transferase vopS
著者Luong, P.H, Kinch, L.N, Brautigam, C.A, Grishin, N.V, Tomchick, D.R, Orth, K.
登録日2010-01-15
公開日2010-04-21
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (1.802 Å)
主引用文献Structural and Kinetic Analysis of VopS with Fic Domain Supports a Direct Transfer Mechanism for AMPylation
To be Published
6WPE
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BU of 6wpe by Molmil
HUMAN IDO1 IN COMPLEX WITH COMPOUND 4
分子名称: 4-chloro-N-{[1-(3-chlorobenzene-1-carbonyl)-1,2,3,4-tetrahydroquinolin-6-yl]methyl}benzamide, Indoleamine 2,3-dioxygenase 1
著者Lesburg, C.A, Lammens, A.
登録日2020-04-27
公開日2021-03-10
最終更新日2024-04-03
実験手法X-RAY DIFFRACTION (2.43 Å)
主引用文献Carbamate and N -Pyrimidine Mitigate Amide Hydrolysis: Structure-Based Drug Design of Tetrahydroquinoline IDO1 Inhibitors.
Acs Med.Chem.Lett., 12, 2021
5F8K
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BU of 5f8k by Molmil
Crystal structure of the Bac7(1-16) antimicrobial peptide bound to the Thermus thermophilus 70S ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A.
登録日2015-12-09
公開日2016-02-03
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
5FCX
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BU of 5fcx by Molmil
Structure of Anabaena (Nostoc) sp. PCC 7120 Red Carotenoid Protein binding canthaxanthin
分子名称: Red carotenoid protein (RCP), beta,beta-carotene-4,4'-dione
著者Sutter, M, Leverenz, R.L, Kerfeld, C.A.
登録日2015-12-15
公開日2016-07-27
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (3.206 Å)
主引用文献Structure, Diversity, and Evolution of a New Family of Soluble Carotenoid-Binding Proteins in Cyanobacteria.
Mol Plant, 9, 2016
5FT2
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BU of 5ft2 by Molmil
Sub-tomogram averaging of Lassa virus glycoprotein spike from virus- like particles at pH 5
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, PRE-GLYCOPROTEIN POLYPROTEIN GP COMPLEX
著者Li, S, Zhaoyang, S, Pryce, R, Parsy, M.L, Fehling, S.K, Schlie, K, Siebert, C.A, Garten, W, Bowden, T.A, Strecker, T, Huiskonen, J.T.
登録日2016-01-09
公開日2016-03-02
最終更新日2020-07-29
実験手法ELECTRON MICROSCOPY (16.4 Å)
主引用文献Acidic Ph-Induced Conformations and Lamp1 Binding of the Lassa Virus Glycoprotein Spike.
Plos Pathog., 12, 2016
5FDU
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BU of 5fdu by Molmil
Crystal structure of the Metalnikowin I antimicrobial peptide bound to the Thermus thermophilus 70S ribosome
分子名称: 16S ribosomal RNA, 23S ribosomal RNA, 30S ribosomal protein S10, ...
著者Seefeldt, A.C, Graf, M, Perebaskine, N, Nguyen, F, Arenz, S, Mardirossian, M, Scocchi, M, Wilson, D.N, Innis, C.A.
登録日2015-12-16
公開日2016-01-27
最終更新日2024-04-24
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Structure of the mammalian antimicrobial peptide Bac7(1-16) bound within the exit tunnel of a bacterial ribosome.
Nucleic Acids Res., 44, 2016
5FET
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BU of 5fet by Molmil
Crystal Structure of PVX_084705 in presence of Compound 2
分子名称: 4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-amine, cGMP-dependent protein kinase, putative
著者Wernimont, A.K, Tempel, W, Walker, J.R, He, H, Seitova, A, Hills, T, Neculai, A.M, Baker, D.A, Flueck, C, Kettleborough, C.A, Arrowsmith, C.H, Edwards, A.M, Bountra, C, Hui, R, Hutchinson, A, El Bakkouri, M, Structural Genomics Consortium (SGC)
登録日2015-12-17
公開日2016-01-13
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (3.07 Å)
主引用文献Crystal Structure of PVX_084705 in presence of Compound 2
To be published
5F83
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BU of 5f83 by Molmil
Imipenem complex of the GES-5 C69G mutant
分子名称: (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase
著者Smith, C.A, Vakulenko, S.B.
登録日2015-12-09
公開日2016-09-07
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (1.38 Å)
主引用文献Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
5FFL
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BU of 5ffl by Molmil
Crystal structure of mouse CD300lf at 1.6 Angstroms resolution.
分子名称: (4S)-2-METHYL-2,4-PENTANEDIOL, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, CD300 antigen-like family member F, ...
著者Nelson, C.A, Fremont, D.H.
登録日2015-12-18
公開日2016-08-31
最終更新日2023-09-27
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Discovery of a proteinaceous cellular receptor for a norovirus.
Science, 353, 2016
5F82
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BU of 5f82 by Molmil
Apo GES-5 C69G mutant
分子名称: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Beta-lactamase
著者Smith, C.A, Vakulenko, S.B.
登録日2015-12-08
公開日2016-09-07
最終更新日2024-03-06
実験手法X-RAY DIFFRACTION (0.96 Å)
主引用文献Role of the Conserved Disulfide Bridge in Class A Carbapenemases.
J.Biol.Chem., 291, 2016
8FAJ
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BU of 8faj by Molmil
OXA-48-NA-1-157 inhibitor complex
分子名称: (5R)-3-{[(3S,5S)-5-(dimethylcarbamoyl)pyrrolidin-3-yl]sulfanyl}-5-[(2S,3R)-3-hydroxy-1-oxobutan-2-yl]-5-methyl-4,5-dihydro-1H-pyrrole-2-carboxylic acid, Beta-lactamase, CADMIUM ION, ...
著者Smith, C.A, Stewart, N.K, Toth, M, Vakulenko, S.B.
登録日2022-11-28
公開日2023-10-11
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献The C5 alpha-Methyl-Substituted Carbapenem NA-1-157 Exhibits Potent Activity against Klebsiella spp. Isolates Producing OXA-48-Type Carbapenemases.
Acs Infect Dis., 9, 2023
8F7M
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BU of 8f7m by Molmil
Crystal Structure of HLA-B*57:01-TW10-T242N complex
分子名称: ACETATE ION, Beta-2-microglobulin, DI(HYDROXYETHYL)ETHER, ...
著者Chatzileontiadou, D.S.M, Lobos, C.A, Gras, S.
登録日2022-11-18
公開日2024-06-05
実験手法X-RAY DIFFRACTION (1.88 Å)
主引用文献Crystal Structure of HLA-B*57:01-TW10-T242N complex
To Be Published
8FIR
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BU of 8fir by Molmil
Crystal structure of TpPta, a phosphotransacetylase from Treponema pallidum
分子名称: 1,2-ETHANEDIOL, CITRIC ACID, Phosphate acetyltransferase
著者Brautigam, C.A, Norgard, M.V, Deka, R.K.
登録日2022-12-16
公開日2023-05-31
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.95 Å)
主引用文献Biophysical and biochemical studies support TP0094 as a phosphotransacetylase in an acetogenic energy-conservation pathway in Treponema pallidum.
Plos One, 18, 2023
8FL5
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BU of 8fl5 by Molmil
Crystal Structure of Enterovirus 68 3C Protease inactive mutant C147A at 1.8 Angstroms.
分子名称: 3C Protease
著者Azzolino, V.N, Shaqra, A.M, Schiffer, C.A.
登録日2022-12-21
公開日2024-01-10
実験手法X-RAY DIFFRACTION (1.8 Å)
主引用文献Crystal Structure of Enterovirus 68 3C Protease inactive mutant C147A at 1.8 Angstroms.
To Be Published
8GJN
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BU of 8gjn by Molmil
17B10 fab in complex with up-RBD of SARS-CoV-2 Spike G614 trimer
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of 17B10 Fab, Light chain of 17B10 Fab, ...
著者Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H.
登録日2023-03-16
公開日2023-04-05
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (3.6 Å)
主引用文献Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023
8GJM
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BU of 8gjm by Molmil
17b10 fab in complex with full-length SARS-CoV-2 Spike G614 trimer
分子名称: 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)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Kwon, H.J, Zhang, J, Kosikova, M, Tang, W.C, Rodriguez, U.O, Peng, H.Q, Meseda, C.A, Pedro, C.L, Schmeisser, F, Lu, J.M, Zhou, B, Davis, C.T, Wentworth, D.E, Chen, W.H, Shriver, M.C, Pasetti, M.F, Weir, J.P, Chen, B, Xie, H.
登録日2023-03-16
公開日2023-04-05
最終更新日2023-04-19
実験手法ELECTRON MICROSCOPY (2.8 Å)
主引用文献Distinct in vitro and in vivo neutralization profiles of monoclonal antibodies elicited by the receptor binding domain of the ancestral SARS-CoV-2.
J Med Virol, 95, 2023
8G8W
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BU of 8g8w by Molmil
Molecular mechanism of nucleotide inhibition of human uncoupling protein 1
分子名称: CARDIOLIPIN, GUANOSINE-5'-TRIPHOSPHATE, Mitochondrial brown fat uncoupling protein 1, ...
著者Gogoi, P, Jones, S.A, Ruprecht, J.J, King, M.S, Lee, Y, Zogg, T, Pardon, E, Chand, D, Steimle, S, Copeman, D, Cotrim, C.A, Steyaert, J, Crichton, P.G, Moiseenkova-Bell, V, Kunji, E.R.S.
登録日2023-02-20
公開日2023-06-07
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Structural basis of purine nucleotide inhibition of human uncoupling protein 1.
Sci Adv, 9, 2023
8FTG
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BU of 8ftg by Molmil
Biophysical and Structural Characterization of an Anti-Caffeine VHH Antibody
分子名称: 2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL, Anti-Caffeine VHH Antibody, CAFFEINE, ...
著者Horn, J.R, Smith, C.A, Sonneson, G.J, Walter, R.
登録日2023-01-12
公開日2023-06-07
最終更新日2024-05-22
実験手法X-RAY DIFFRACTION (1.13 Å)
主引用文献Molecular recognition requires dimerization of a VHH antibody.
Mabs, 15, 2023
8GAE
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BU of 8gae by Molmil
Hsp90 provides platform for CRaf dephosphorylation by PP5
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, ...
著者Jaime-Garza, M, Nowotny, C.A, Coutandin, D, Wang, F, Tabios, M, Agard, D.A.
登録日2023-02-22
公開日2023-04-26
最終更新日2023-05-03
実験手法ELECTRON MICROSCOPY (3.3 Å)
主引用文献Hsp90 provides a platform for kinase dephosphorylation by PP5.
Nat Commun, 14, 2023
8GFT
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BU of 8gft by Molmil
Hsp90 provides platform for CRaf dephosphorylation by PP5
分子名称: ADENOSINE-5'-DIPHOSPHATE, ADENOSINE-5'-TRIPHOSPHATE, Heat shock protein HSP 90-beta, ...
著者Jaime-Garza, M, Nowotny, C.A, Coutandin, D, Wang, F, Tabios, M, Agard, D.A.
登録日2023-03-08
公開日2023-05-03
実験手法ELECTRON MICROSCOPY (3.8 Å)
主引用文献Hsp90 provides a platform for kinase dephosphorylation by PP5.
Nat Commun, 14, 2023
6QUS
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BU of 6qus by Molmil
HsCKK (human CAMSAP1) decorated 13pf taxol-GDP microtubule
分子名称: Calmodulin-regulated spectrin-associated protein 1, GUANOSINE-5'-DIPHOSPHATE, GUANOSINE-5'-TRIPHOSPHATE, ...
著者Atherton, J.M, Luo, Y, Xiang, S, Yang, C, Jiang, K, Stangier, M, Vemu, A, Cook, A, Wang, S, Roll-Mecak, A, Steinmetz, M.O, Akhmanova, A, Baldus, M, Moores, C.A.
登録日2019-02-28
公開日2019-11-27
最終更新日2024-05-15
実験手法ELECTRON MICROSCOPY (3.7 Å)
主引用文献Structural determinants of microtubule minus end preference in CAMSAP CKK domains.
Nat Commun, 10, 2019

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