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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:2024-11-13
Method:ELECTRON MICROSCOPY (17 Å)
Cite:gamma-TuRC asymmetry induces local protofilament mismatch at the RanGTP-stimulated microtubule minus end.
Embo J., 43, 2024
9DOJ
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BU of 9doj by Molmil
Influenza A virus polymerase PA subunit endonuclease domain bound to inhibitor Compound 19a
Descriptor: (2aS,4aR,10bS,11S,12R)-4a-(2,2-difluoroethyl)-16-hydroxy-2-methyl-2,2a,3,4,4a,5,6,10b-octahydrobenzo[h]pyrido[1',2':1,6][1,2,4]triazino[2,3-a]quinoline-1,15-dione, MALONATE ION, MANGANESE (II) ION, ...
Authors:Hollenstein, K, Price, I.R, Eddins, M.J, Su, H.P.
Deposit date:2024-09-19
Release date:2025-01-29
Method:X-RAY DIFFRACTION (1.48 Å)
Cite:Highly Diastereoselective Access to Densely Functionalized Piperidine Cores of Influenza Endonuclease Inhibitors via a Metal-Free S N 1 Approach.
J.Org.Chem., 90, 2025
9DN4
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BU of 9dn4 by Molmil
Crystal structure of a SARS-CoV-2 20-mer RNA in complex with FAB BL3-6S97N
Descriptor: CHLORIDE ION, FAB BL3-6S97N HEAVY CHAIN, FAB BL3-6S97N LIGHT CHAIN, ...
Authors:Lovell, S, Cooper, A, Battaile, K.P, Hegde, S, Wang, J.
Deposit date:2024-09-16
Release date:2024-09-25
Last modified:2025-07-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic studies of small molecule ligands selective to RNA single G bulges.
Nucleic Acids Res., 53, 2025
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
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
6JYJ
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BU of 6jyj by Molmil
Crystal structure of FAM46B (TENT5B)
Descriptor: CITRATE ANION, Terminal nucleotidyltransferase 5B
Authors:Zhang, H, Hu, J.L, Gao, S.
Deposit date:2019-04-26
Release date:2020-03-04
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.693199 Å)
Cite:FAM46B is a prokaryotic-like cytoplasmic poly(A) polymerase essential in human embryonic stem cells.
Nucleic Acids Res., 48, 2020
1D17
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BU of 1d17 by Molmil
DNA-NOGALAMYCIN INTERACTIONS
Descriptor: DNA (5'-D(*(5CM)P*GP*TP*AP*(5CM)P*G)-3'), NOGALAMYCIN
Authors:Egli, M, Williams, L.D, Frederick, C.A, Rich, A.
Deposit date:1990-08-08
Release date:1991-07-15
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2 Å)
Cite:DNA-nogalamycin interactions.
Biochemistry, 30, 1991
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:2025-06-25
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:2024-11-06
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
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
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:2024-10-23
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
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
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
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
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
8JB4
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BU of 8jb4 by Molmil
lipopolysaccharide-binding domain-LBDB
Descriptor: Antilipopolysaccharide factor D
Authors:Huang, J, Qin, Z.
Deposit date:2023-05-08
Release date:2024-03-13
Last modified:2025-03-19
Method:SOLUTION NMR
Cite:Machine learning and genetic algorithm-guided directed evolution for the development of antimicrobial peptides.
J Adv Res, 68, 2025
9JX5
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BU of 9jx5 by Molmil
Solution NMR structure of the 1:1 complex of NOP56 intronic G-quadruplex bound with pyridostatin
Descriptor: 4-(2-azanylethoxy)-N2,N6-bis[4-(2-azanylethoxy)quinolin-2-yl]pyridine-2,6-dicarboxamide, DNA (5'-D(*GP*GP*GP*CP*CP*TP*GP*GP*GP*CP*CP*TP*GP*GP*GP*CP*CP*TP*GP*GP*G)-3')
Authors:Yan, Z, Wan, L, Guo, P, Han, D.
Deposit date:2024-10-11
Release date:2025-02-05
Last modified:2025-05-07
Method:SOLUTION NMR
Cite:Structural Insights into an Antiparallel Chair-Type G-Quadruplex From the Intron of NOP56 Oncogene.
Adv Sci, 12, 2025
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
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
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:2024-10-30
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
5ZUD
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BU of 5zud by Molmil
Fit R10 Fab coordinates into the cryo-EM of EV71 in complex with D6
Descriptor: Capsid protein VP1, R10 ANTIBODY HEAVY CHAIN, R10 ANTIBODY LIGHT CHAIN, ...
Authors:Wang, X, Zhu, L, Wang, N.
Deposit date:2018-05-07
Release date:2019-12-25
Last modified:2024-10-23
Method:ELECTRON MICROSCOPY (4.9 Å)
Cite:Neutralization Mechanisms of Two Highly Potent Antibodies against Human Enterovirus 71.
Mbio, 9, 2018
5ZUF
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BU of 5zuf by Molmil
Fit R10 Fab coordinates into the cryo-EM of EV71 in complex with A9
Descriptor: Capsid protein VP1, R10 ANTIBODY HEAVY CHAIN, R10 ANTIBODY LIGHT CHAIN, ...
Authors:Wang, X, Zhu, L, Wang, N.
Deposit date:2018-05-07
Release date:2019-12-25
Last modified:2024-11-06
Method:ELECTRON MICROSCOPY (6.8 Å)
Cite:Neutralization Mechanisms of Two Highly Potent Antibodies against Human Enterovirus 71.
Mbio, 9, 2018
5ZXL
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BU of 5zxl by Molmil
Structure of GldA from E.coli
Descriptor: CHLORIDE ION, GLYCEROL, Glycerol dehydrogenase, ...
Authors:Zhang, J, Lin, L.
Deposit date:2018-05-21
Release date:2019-03-20
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.794 Å)
Cite:Structure of glycerol dehydrogenase (GldA) from Escherichia coli.
Acta Crystallogr F Struct Biol Commun, 75, 2019
6BQK
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BU of 6bqk by Molmil
CRYSTAL STRUCTURE OF HEPATIS C VIRUS PROTEASE (NS3) COMPLEXED WITH TRIPEPTIDIC ACYL SULFONAMIDE INHIBITOR (COMPOUND 18)
Descriptor: N-(tert-butoxycarbonyl)-3-methyl-L-valyl-(4R)-4-[(7-chloro-4-methoxyisoquinolin-1-yl)oxy]-N-[(1R,2R)-1-[(cyclopropylsulfonyl)carbamoyl]-2-(difluoromethyl)cyclopropyl]-L-prolinamide, NS3 protease, ZINC ION
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 (1.97 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

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数据于2025-07-09公开中

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