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6IGE
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BU of 6ige by Molmil
Crystal structure of Human Papillomavirus type 33 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-12-05
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6IGC
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BU of 6igc by Molmil
Crystal structure of HPV58/33/52 chimeric L1 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Song, S, He, M.Z, Gu, Y, Li, S.W.
Deposit date:2018-09-25
Release date:2018-11-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
2P2H
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BU of 2p2h by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a pyridinyl-triazine inhibitor
Descriptor: 4-(2-anilinopyridin-3-yl)-N-(3,4,5-trimethoxyphenyl)-1,3,5-triazin-2-amine, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2007-03-07
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
2P2I
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BU of 2p2i by Molmil
Crystal structure of the VEGFR2 kinase domain in complex with a nicotinamide inhibitor
Descriptor: N-(4-phenoxyphenyl)-2-[(pyridin-4-ylmethyl)amino]nicotinamide, Vascular endothelial growth factor receptor 2
Authors:Whittington, D.A, Kim, J.L, Long, A.M, Rose, P, Gu, Y, Zhao, H.
Deposit date:2007-03-07
Release date:2007-03-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of a Highly Selective and Potent 2-(Pyridin-2-yl)-1,3,5-triazine Tie-2 Kinase Inhibitor
J.Med.Chem., 50, 2007
7EAN
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BU of 7ean by Molmil
immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 6D6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Heavy chain of SARS-CoV-2 cross-neutralizing mAb 6D6, Light chain of SARS-CoV-2 cross-neutralizing mAb 6D6, ...
Authors:Li, T.T, Gu, Y, Li, S.W.
Deposit date:2021-03-07
Release date:2021-03-31
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
7EAM
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BU of 7eam by Molmil
immune complex of SARS-CoV-2 RBD and cross-neutralizing antibody 7D6
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Spike protein S1, ...
Authors:Li, T.T, Gu, Y, Li, S.W.
Deposit date:2021-03-07
Release date:2021-03-17
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Cross-neutralizing antibodies bind a SARS-CoV-2 cryptic site and resist circulating variants.
Nat Commun, 12, 2021
7FAH
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BU of 7fah by Molmil
Immune complex of head region of CA09 HA and neutralizing antibody 12H5
Descriptor: 2-(N-MORPHOLINO)-ETHANESULFONIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, Hemagglutinin, ...
Authors:Li, T.T, Xue, W.H, Gu, Y, Li, S.W.
Deposit date:2021-07-06
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.151 Å)
Cite:Identification of a cross-neutralizing antibody that targets the receptor binding site of H1N1 and H5N1 influenza viruses.
Nat Commun, 13, 2022
7DNH
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BU of 7dnh by Molmil
2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 2H3
Descriptor: Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of 2H3 Fab fragment
Authors:He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S.
Deposit date:2020-12-09
Release date:2020-12-30
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (3.64 Å)
Cite:Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding.
J.Virol., 95, 2021
7DNK
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BU of 7dnk by Molmil
2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of 5G9
Descriptor: Major capsid protein L1, The heavy chain of 5G9 Fab fragment, The light chain of 5G9 Fab fragment
Authors:He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S.
Deposit date:2020-12-09
Release date:2020-12-30
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (6.41 Å)
Cite:Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding.
J.Virol., 95, 2021
7DNL
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BU of 7dnl by Molmil
2-fold subparticles refinement of human papillomavirus type 58 pseudovirus in complexed with the Fab fragment of A4B4
Descriptor: Major capsid protein L1, The heavy chain of 2H3 Fab fragment, The light chain of A4B4 Fab fragment
Authors:He, M.Z, Chi, X, Zha, Z.H, Zheng, Q.B, Gu, Y, Li, S.W, Xia, N.S.
Deposit date:2020-12-09
Release date:2020-12-30
Last modified:2022-12-07
Method:ELECTRON MICROSCOPY (4.19 Å)
Cite:Structural basis for the shared neutralization mechanism of three classes of human papillomavirus type 58 antibodies with disparate modes of binding.
J.Virol., 95, 2021
7UYX
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BU of 7uyx by Molmil
Structure of bacteriophage PA1c gp2
Descriptor: Bacteriophage PA1C gp2
Authors:Enustun, E, Deep, A, Gu, Y, Nguyen, K, Chaikeeratisak, V, Armbruster, E, Ghassemian, M, Pogliano, J, Corbett, K.D.
Deposit date:2022-05-07
Release date:2023-05-10
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.63 Å)
Cite:Identification of the bacteriophage nucleus protein interaction network.
Nat.Struct.Mol.Biol., 30, 2023
7EW5
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BU of 7ew5 by Molmil
immune complex of HPV6 L1 pentamer and neutralizing antibody 13H5
Descriptor: Heavy chain of 13H5, Light chain of 13H5, Major capsid protein L1
Authors:Wang, Z.P, Wang, D.N, Gu, Y, Li, S.W.
Deposit date:2021-05-24
Release date:2022-06-01
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.606 Å)
Cite:structure of HPV6 L1 pentamer in complex with neutralizing antibody 13H5
To Be Published
7F8I
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BU of 7f8i by Molmil
Crystal structure of HPV6 L1 pentamer
Descriptor: Major capsid protein L1
Authors:Wang, Z.P, Wang, D.N, Gu, Y, Li, S.W.
Deposit date:2021-07-02
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (3.366 Å)
Cite:Crystal structure of HPV6 L1 pentamer
To Be Published
4PLJ
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BU of 4plj by Molmil
Hepatitis E Virus E2s domain (Genotype IV) in complex with a neutralizing antibody 8G12
Descriptor: 8G12 heavy chain, 8G12 light chain, Capsid protein
Authors:Tang, X.H, Li, S.W, Sivaraman, J.
Deposit date:2014-05-18
Release date:2015-04-15
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Cell Res., 25, 2015
4PLK
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BU of 4plk by Molmil
Hepatitis E Virus E2s domain (Genotype I) in complex with a neutralizing antibody 8G12
Descriptor: 8G12 heavy chain, 8G12 light chain, Capsid protein
Authors:Tang, X.H, Li, S.W, Sivaraman, J.
Deposit date:2014-05-18
Release date:2015-04-08
Last modified:2015-05-13
Method:X-RAY DIFFRACTION (4 Å)
Cite:Structural basis for the neutralization of hepatitis E virus by a cross-genotype antibody
Cell Res., 25, 2015
3BYS
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BU of 3bys by Molmil
co-crystal structure of Lck and aminopyrimidine amide 10b
Descriptor: 4-methyl-N~3~-(2-{[4-(4-methylpiperazin-1-yl)phenyl]amino}pyrimidin-5-yl)-N~1~-[3-(trifluoromethyl)phenyl]benzene-1,3-dicarboxamide, Proto-oncogene tyrosine-protein kinase LCK
Authors:Huang, X.
Deposit date:2008-01-16
Release date:2008-09-16
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Structure-guided design of aminopyrimidine amides as potent, selective inhibitors of lymphocyte specific kinase: synthesis, structure-activity relationships, and inhibition of in vivo T cell activation.
J.Med.Chem., 51, 2008
6UBI
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BU of 6ubi by Molmil
N123-VRC34.05 HIV neutralizing antibody in complex with HIV fusion peptide residue 512-519
Descriptor: HIV fusion peptide 512-519, VRC34.05 heavy chain, VRC34.05 light chain
Authors:Xu, K, Liu, K, Kwong, P.D.
Deposit date:2019-09-11
Release date:2020-03-18
Last modified:2020-04-22
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:VRC34-Antibody Lineage Development Reveals How a Required Rare Mutation Shapes the Maturation of a Broad HIV-Neutralizing Lineage.
Cell Host Microbe, 27, 2020
7TB6
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BU of 7tb6 by Molmil
Structure of S. maltophilia CapW
Descriptor: S. maltophilia CapW, SULFATE ION
Authors:Blankenchip, C.L, Nguyen, J.V, Lau, R.K, Ye, Q, Corbett, K.D.
Deposit date:2021-12-21
Release date:2022-01-19
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Control of bacterial immune signaling by a WYL domain transcription factor.
Nucleic Acids Res., 50, 2022
7TB5
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BU of 7tb5 by Molmil
Structure of P. aeruginosa PA17 CapW
Descriptor: SULFATE ION, WYL domain-containing protein
Authors:Blankenchip, C.L, Nguyen, J.V, Lau, R.K, Ye, Q, Corbett, K.D.
Deposit date:2021-12-21
Release date:2022-01-19
Last modified:2022-06-01
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Control of bacterial immune signaling by a WYL domain transcription factor.
Nucleic Acids Res., 50, 2022
2RFS
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BU of 2rfs by Molmil
X-ray structure of SU11274 bound to c-Met
Descriptor: Hepatocyte growth factor receptor, N-(3-chlorophenyl)-N-methyl-2-oxo-3-[(3,4,5-trimethyl-1H-pyrrol-2-yl)methyl]-2H-indole-5-sulfonamide
Authors:Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I.
Deposit date:2007-10-01
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations.
J.Biol.Chem., 283, 2008
2RFN
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BU of 2rfn by Molmil
x-ray structure of c-Met with inhibitor.
Descriptor: 2-benzyl-5-(3-fluoro-4-{[6-methoxy-7-(3-morpholin-4-ylpropoxy)quinolin-4-yl]oxy}phenyl)-3-methylpyrimidin-4(3H)-one, Hepatocyte growth factor receptor
Authors:Bellon, S.F, Kaplan-Lefko, P, Yang, Y, Zhang, Y, Moriguchi, J, Dussault, I.
Deposit date:2007-10-01
Release date:2007-11-06
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:c-Met inhibitors with novel binding mode show activity against several hereditary papillary renal cell carcinoma-related mutations.
J.Biol.Chem., 283, 2008
4MT9
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BU of 4mt9 by Molmil
Co-crystal structure of tankyrase 1 with compound 49
Descriptor: N-[trans-4-(4-cyanophenoxy)cyclohexyl]-3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]propanamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-09-19
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
4MSG
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BU of 4msg by Molmil
Crystal structure of tankyrase 1 with compound 22
Descriptor: 3-[(4-oxo-3,4-dihydroquinazolin-2-yl)sulfanyl]-N-[trans-4-(5-phenyl-1,3,4-oxadiazol-2-yl)cyclohexyl]propanamide, Tankyrase-1, ZINC ION
Authors:Huang, X.
Deposit date:2013-09-18
Release date:2013-12-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Development of novel dual binders as potent, selective, and orally bioavailable tankyrase inhibitors.
J.Med.Chem., 56, 2013
6A82
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BU of 6a82 by Molmil
Crystal structure of the C-terminal periplasmic domain of EcEptC from Escherichia coli
Descriptor: Phosphoethanolamine transferase EptC, SODIUM ION
Authors:Zhao, Y.Q, Gu, Y.J, Cheng, W.
Deposit date:2018-07-06
Release date:2018-12-26
Last modified:2019-03-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Structural and mechanistic insights into polymyxin resistance mediated by EptC originating from Escherichia coli.
FEBS J., 286, 2019
2HK8
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BU of 2hk8 by Molmil
Crystal structure of shikimate dehydrogenase from aquifex aeolicus at 2.35 angstrom resolution
Descriptor: Shikimate dehydrogenase
Authors:Gan, J.H, Prabakaran, P, Gu, Y.J, Andrykovitch, M, Li, Y, Liu, H.H, Yan, H, Ji, X.
Deposit date:2006-07-03
Release date:2007-06-19
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Structural and biochemical analyses of shikimate dehydrogenase AroE from Aquifex aeolicus: implications for the catalytic mechanism.
Biochemistry, 46, 2007

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