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6BQJ
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BU of 6bqj by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 16)
Descriptor: ACETATE ION, CHLORIDE ION, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(2S)-1-[(cyclopropylsulfonyl)amino]-4,4-difluoro-1-oxobutan-2-yl}-4-[(7-methoxy-2-phenylquinolin-4-yl)oxy]-L-prolinamide, ...
Authors:Klei, H.E, Sack, J.S.
Deposit date:2017-11-28
Release date:2018-03-21
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Potent Inhibitors of Hepatitis C Virus NS3 Protease: Employment of a Difluoromethyl Group as a Hydrogen-Bond Donor.
ACS Med Chem Lett, 9, 2018
7E3L
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BU of 7e3l by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 58G6 heavy chain, 58G6 light chain, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2024-10-16
Method:ELECTRON MICROSCOPY (3.6 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7E3K
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BU of 7e3k by Molmil
Ultrapotent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants
Descriptor: 13G9 heavy chain, 13G9 light chain, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Guo, H, Li, T, Liu, F, Gao, Y, Ji, X, Yang, H.
Deposit date:2021-02-09
Release date:2021-09-15
Last modified:2022-03-02
Method:ELECTRON MICROSCOPY (3.9 Å)
Cite:Potent SARS-CoV-2 neutralizing antibodies with protective efficacy against newly emerged mutational variants.
Nat Commun, 12, 2021
7EQL
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BU of 7eql by Molmil
Crystal structure of (+)-pulegone reductase from Mentha piperita
Descriptor: (+)-pulegone reductase
Authors:Lin, W.
Deposit date:2021-05-03
Release date:2021-09-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Functional Characterization and Structural Insights Into Stereoselectivity of Pulegone Reductase in Menthol Biosynthesis.
Front Plant Sci, 12, 2021
2F8W
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BU of 2f8w by Molmil
Crystal structure of d(CACGTG)2
Descriptor: 1,3-DIAMINOPROPANE, 5'-D(*CP*AP*CP*GP*TP*G)-3', SPERMINE
Authors:Narayana, N, Shamala, N, Ganesh, K.N, Viswamitra, M.A.
Deposit date:2005-12-04
Release date:2006-01-31
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Interaction between the Z-Type DNA Duplex and 1,3-Propanediamine: Crystal Structure of d(CACGTG)2 at 1.2 A Resolution
Biochemistry, 45, 2006
4NWK
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BU of 4nwk by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-605339 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-n-((1r,2s)-1-((cyclopropylsulfonyl)carba moyl)-2-vinylcyclopropyl)-4-((6-methoxy-1-isoquinolinyl)ox y)-l-prolinamide
Descriptor: GLYCEROL, HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-4-[(6-methoxyisoquinolin-1-yl)oxy]-L-prolinamide, ...
Authors:Muckelbauer, J.K, Klei, H.E.
Deposit date:2013-12-06
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
4NWL
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BU of 4nwl by Molmil
Crystal structure of hepatis c virus protease (ns3) complexed with bms-650032 aka n-(tert-butoxycarbonyl)-3-me thyl-l-valyl-(4r)-4-((7-chloro-4-methoxy-1-isoquinolinyl)o xy)-n-((1r,2s)-1-((cyclopropylsulfonyl)carbamoyl)-2-vinylc yclopropyl)-l-prolinamide
Descriptor: HCV NS3 1a Protease, N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-{(1R,2S)-1-[(cyclopropylsulfonyl)carbamoyl]-2-ethenylcyclopropyl}-L-prolinamide, ZINC ION
Authors:Muckelbauer, J.K, Klei, H.E.
Deposit date:2013-12-06
Release date:2014-03-26
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery and Early Clinical Evaluation of BMS-605339, a Potent and Orally Efficacious Tripeptidic Acylsulfonamide NS3 Protease Inhibitor for the Treatment of Hepatitis C Virus Infection.
J.Med.Chem., 57, 2014
8HF2
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BU of 8hf2 by Molmil
Cryo-EM structure of WeiTsing
Descriptor: PRA1 family protein
Authors:Qin, L, Tang, L.H, Chen, Y.H.
Deposit date:2022-11-09
Release date:2023-06-21
Last modified:2024-07-03
Method:ELECTRON MICROSCOPY (4.14 Å)
Cite:WeiTsing, a pericycle-expressed ion channel, safeguards the stele to confer clubroot resistance.
Cell, 186, 2023
9EOJ
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BU of 9eoj by Molmil
Vertebrate microtubule-capping gamma-tubulin ring complex
Descriptor: Gamma-tubulin complex component, Gamma-tubulin complex component 3 homolog, Gamma-tubulin complex component 6, ...
Authors:Vermeulen, B.J.A, Pfeffer, S.
Deposit date:2024-03-15
Release date:2024-04-17
Last modified:2024-05-29
Method:ELECTRON MICROSCOPY (17 Å)
Cite:gamma-TuRC asymmetry induces local protofilament mismatch at the RanGTP-stimulated microtubule minus end.
Embo J., 43, 2024
9FGP
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BU of 9fgp by Molmil
cilia and flagella associated protein 299
Descriptor: Cilia- and flagella-associated protein 299, ZINC ION
Authors:Wright, N.D, Koekemoer, L, Structural Genomics Consortium (SGC)
Deposit date:2024-05-24
Release date:2024-06-12
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:cilia and flagella associated protein 299
To Be Published
8SK5
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BU of 8sk5 by Molmil
Crystal structure of the SARS-CoV-2 neutralizing VHH 7A9 bound to the spike receptor binding domain
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, anti-SARS-CoV-2 receptor binding domain VHH
Authors:Noland, C.L, Pande, K, Zhang, L, Zhou, H, Galli, J, Eddins, M, Gomez-Llorente, Y.
Deposit date:2023-04-18
Release date:2023-08-16
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (2.011 Å)
Cite:Discovery and multimerization of cross-reactive single-domain antibodies against SARS-like viruses to enhance potency and address emerging SARS-CoV-2 variants.
Sci Rep, 13, 2023
5WSN
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BU of 5wsn by Molmil
Structure of Japanese encephalitis virus
Descriptor: E protein, M protein
Authors:Wang, X, Zhu, L, Li, S, Yuan, S, Qin, C, Fry, E.E, Stuart, I.D, Rao, Z.
Deposit date:2016-12-07
Release date:2017-05-17
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.3 Å)
Cite:Near-atomic structure of Japanese encephalitis virus reveals critical determinants of virulence and stability
Nat Commun, 8, 2017
7WEX
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BU of 7wex by Molmil
The crystal structure of substrate-free CYP107X1 from Streptomyces avermitilis
Descriptor: Cytochrome P450 hydroxylase, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE
Authors:Xu, L.-H, Lin, S, Gao, L.
Deposit date:2021-12-24
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:The 16 alpha-Hydroxylation of Progesterone by Cytochrome P450 107X1 from Streptomyces avermitilis.
Chem.Biodivers., 19, 2022
6LQD
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BU of 6lqd by Molmil
Structure of Enterovirus 71 in complex with NLD-22
Descriptor: 1-(2-azanylpyridin-4-yl)-3-[5-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenoxy]pentyl]imidazolidin-2-one, Capsid protein VP1, Capsid protein VP2, ...
Authors:Zhang, M, Sun, Y, Wang, X, Guo, Y, Rao, Z.
Deposit date:2020-01-13
Release date:2020-03-11
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.264 Å)
Cite:Design, Synthesis, and Evaluation of Novel Enterovirus 71 Inhibitors as Therapeutic Drug Leads for the Treatment of Human Hand, Foot, and Mouth Disease.
J.Med.Chem., 63, 2020
6LOI
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BU of 6loi by Molmil
Crystal structure of Enterococcus faecalis Undecaprenyl pyrophosphate synthase(EfaUPPS)
Descriptor: Isoprenyl transferase
Authors:Lin, W, Wang, C.Y, Li, W.J, Wang, F.L.
Deposit date:2020-01-05
Release date:2020-06-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.503 Å)
Cite:Investigations into the Antibacterial Mechanism of Action of Viridicatumtoxins.
Acs Infect Dis., 6, 2020
5Y9V
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BU of 5y9v by Molmil
Crystal structure of diamondback moth ryanodine receptor N-terminal domain
Descriptor: CHLORIDE ION, GLYCEROL, Ryanodine receptor 1
Authors:Lin, L, Yuchi, Z.
Deposit date:2017-08-28
Release date:2017-12-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.841 Å)
Cite:Crystal structure of ryanodine receptor N-terminal domain from Plutella xylostella reveals two potential species-specific insecticide-targeting sites.
Insect Biochem. Mol. Biol., 92, 2017
7DMP
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BU of 7dmp by Molmil
Mouse radial spoke complex
Descriptor: Radial spoke head 1 homolog, Radial spoke head protein 4 homolog A, Radial spoke head protein 9 homolog
Authors:Zheng, W, Cong, Y.
Deposit date:2020-12-05
Release date:2021-07-21
Last modified:2024-03-27
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Distinct architecture and composition of mouse axonemal radial spoke head revealed by cryo-EM
Proc.Natl.Acad.Sci.USA, 118, 2021
131D
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BU of 131d by Molmil
THE LOW-TEMPERATURE CRYSTAL STRUCTURE OF THE PURE-SPERMINE FORM OF Z-DNA REVEALS BINDING OF A SPERMINE MOLECULE IN THE MINOR GROOVE
Descriptor: DNA (5'-D(*CP*GP*CP*GP*CP*G)-3'), SODIUM ION, SPERMINE
Authors:Bancroft, D, Williams, L.D, Rich, A, Egli, M.
Deposit date:1993-06-18
Release date:1993-10-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (1 Å)
Cite:The low-temperature crystal structure of the pure-spermine form of Z-DNA reveals binding of a spermine molecule in the minor groove.
Biochemistry, 33, 1994
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