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7VTW
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BU of 7vtw by Molmil
Crystal structure of PDE8A catalytic domain in complex with 17
Descriptor: 2-chloro-9-(3-(2,2-difluoroethoxy)-5-isopropoxybenzyl)-9H-purin-6-amine, High affinity cAMP-specific and IBMX-insensitive 3',5'-cyclic phosphodiesterase 8A, MAGNESIUM ION, ...
Authors:Wu, X.-N, Zhou, Q, Huang, Y.-D, Li, Z, Wu, Y, Luo, H.-B.
Deposit date:2021-10-31
Release date:2022-11-02
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.79971337 Å)
Cite:Structure-Based Discovery of Orally Efficient PDE8 Inhibitors for the Treatment of Vascular Dementia
To Be Published
7WDL
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BU of 7wdl by Molmil
Fungal immunomodulatory protein FIP-nha
Descriptor: Fungal immunomodulatory protein
Authors:Liu, Y, Bastiaan-Net, S, Zhang, Y, Hoppenbrouwers, T, Xie, Y, Wang, Y, Wei, X, Du, G, Zhang, H, Imam, K.M.S.U, Wichers, H.J, Li, Z.
Deposit date:2021-12-22
Release date:2022-06-29
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.903 Å)
Cite:Linking the thermostability of FIP-nha (Nectria haematococca) to its structural properties.
Int.J.Biol.Macromol., 213, 2022
7XT3
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BU of 7xt3 by Molmil
Crystal Structure of Hepatitis virus A 2C protein 128-335 aa
Descriptor: Genome polyprotein, PHOSPHATE ION
Authors:Chen, P, Wojdyla, J.A, Li, Z, Wang, M, Cui, S.
Deposit date:2022-05-16
Release date:2022-07-27
Last modified:2022-11-23
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Biochemical and structural characterization of hepatitis A virus 2C reveals an unusual ribonuclease activity on single-stranded RNA.
Nucleic Acids Res., 50, 2022
7XVE
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BU of 7xve by Molmil
Human Nav1.7 mutant class-I
Descriptor: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
Deposit date:2022-05-21
Release date:2022-08-10
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
7XVF
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BU of 7xvf by Molmil
Nav1.7 mutant class2
Descriptor: (2S,3R,4E)-2-(acetylamino)-3-hydroxyoctadec-4-en-1-yl dihydrogen phosphate, 1,2-DIOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE, 1-O-OCTADECYL-SN-GLYCERO-3-PHOSPHOCHOLINE, ...
Authors:Huang, G, Wu, Q, Li, Z, Pan, X, Yan, N.
Deposit date:2022-05-22
Release date:2022-08-10
Last modified:2023-03-01
Method:ELECTRON MICROSCOPY (2.8 Å)
Cite:Unwinding and spiral sliding of S4 and domain rotation of VSD during the electromechanical coupling in Na v 1.7.
Proc.Natl.Acad.Sci.USA, 119, 2022
6J8E
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BU of 6j8e by Molmil
Human Nav1.2-beta2-KIIIA ternary complex
Descriptor: (3beta,14beta,17beta,25R)-3-[4-methoxy-3-(methoxymethyl)butoxy]spirost-5-en, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Pan, X, Li, Z, Huang, X, Huang, G, Yan, N.
Deposit date:2019-01-18
Release date:2019-02-27
Last modified:2020-07-29
Method:ELECTRON MICROSCOPY (3 Å)
Cite:Molecular basis for pore blockade of human Na+channel Nav1.2 by the mu-conotoxin KIIIA.
Science, 363, 2019
6JBU
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BU of 6jbu by Molmil
High resolution crystal structure of human FLRT3 LRR domain in complex with mouse CIRL3 Olfactomedin like domain
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, Adhesion G protein-coupled receptor L3, ...
Authors:Liu, H, Li, Z, Xu, F.
Deposit date:2019-01-26
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.849 Å)
Cite:High resolution crystal structure of human FLRT3 LRR domain in complex with mouse CIRL3 Olfactomedin like domain
To Be Published
6KEE
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BU of 6kee by Molmil
Crystal structure of BRD4 Bromodomain1 with an inhibitor
Descriptor: 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-a]pyrazin-1-one, Bromodomain-containing protein 4
Authors:Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.12154651 Å)
Cite:Crystal structure of BRD4 Bromodomain1 with an inhibitor
To be published
6KEG
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BU of 6keg by Molmil
BRD4 Bromodomain1 with an inhibitor
Descriptor: 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(ethylsulfonylmethyl)pyridin-3-yl]-8-methyl-4H-pyrrolo[1,2-a]pyrazin-1-one, Bromodomain-containing protein 4
Authors:Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.232 Å)
Cite:BRD4 Bromodomain1 with an inhibitor
To Be Published
7YLQ
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BU of 7ylq by Molmil
Crystal structure of Microcystinase C from Sphingomonas sp. ACM-3962 at 2.6 A resolution
Descriptor: CALCIUM ION, Microcystinase C, ZINC ION
Authors:Guo, X, Li, Z, Ding, W, Yin, P, Feng, L.
Deposit date:2022-07-26
Release date:2023-08-09
Method:X-RAY DIFFRACTION (2.68 Å)
Cite:Crystal structure of Microcystin C from Sphingomonas sp. ACM-3962 at 2.6 A resolution
To Be Published
6KEF
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BU of 6kef by Molmil
BRD4 Bromodomain1 with an inhibitor
Descriptor: Bromodomain-containing protein 4, N-[3-(8-methyl-1-oxidanylidene-2H-pyrrolo[1,2-a]pyrazin-6-yl)-4-phenoxy-phenyl]methanesulfonamide
Authors:Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.44467545 Å)
Cite:BRD4 Bromodomain1 with an inhibitor
To Be Published
6KL9
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BU of 6kl9 by Molmil
Structure of LbCas12a-crRNA complex bound to AcrVA4 (form A complex)
Descriptor: AcrVA4, LbCas12a, MAGNESIUM ION, ...
Authors:Peng, R, Li, Z, Xu, Y, He, S, Peng, Q, Shi, Y, Gao, G.F.
Deposit date:2019-07-30
Release date:2019-09-11
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (3.25 Å)
Cite:Structural insight into multistage inhibition of CRISPR-Cas12a by AcrVA4.
Proc.Natl.Acad.Sci.USA, 116, 2019
6KED
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BU of 6ked by Molmil
BRD4 Bromodomain1 with an inhibitor
Descriptor: 6-[2-[2,4-bis(fluoranyl)phenoxy]-5-(methylsulfonylmethyl)pyridin-3-yl]-8-methyl-2H-pyrrolo[1,2-d][1,2,4]triazin-1-one, Bromodomain-containing protein 4
Authors:Xiao, S, Li, Z, Chen, S, Zhou, B, Luo, C.
Deposit date:2019-07-04
Release date:2020-07-08
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.548447 Å)
Cite:BRD4 Bromodomain1 with an inhibitor
To Be Published
6KLB
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BU of 6klb by Molmil
Structure of LbCas12a-crRNA complex bound to AcrVA4 (form B complex)
Descriptor: AcrVA4, LbCas12a, MAGNESIUM ION, ...
Authors:Peng, R, Li, Z, Xu, Y, He, S, Peng, Q, Shi, Y, Gao, G.F.
Deposit date:2019-07-30
Release date:2019-09-11
Last modified:2019-11-06
Method:ELECTRON MICROSCOPY (4.1 Å)
Cite:Structural insight into multistage inhibition of CRISPR-Cas12a by AcrVA4.
Proc.Natl.Acad.Sci.USA, 116, 2019
4TTH
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BU of 4tth by Molmil
Crystal structure of a CDK6/Vcyclin complex with inhibitor bound
Descriptor: 9-cyclopentyl-N-(5-piperazin-1-ylpyridin-2-yl)pyrido[4,5]pyrrolo[1,2-d]pyrimidin-2-amine, Cyclin homolog, Cyclin-dependent kinase 6
Authors:Piper, D.E, Walker, N, Wang, Z.
Deposit date:2014-06-20
Release date:2014-08-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Discovery of AMG 925, a FLT3 and CDK4 dual kinase inhibitor with preferential affinity for the activated state of FLT3.
J.Med.Chem., 57, 2014
5H5Z
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BU of 5h5z by Molmil
Crystal structure of bony fish MHC class I, peptide and B2m II
Descriptor: Beta-2-microglobulin, MHC class I antigen, peptide chain
Authors:Chen, Z, Zhang, N, Qi, J, Li, X, Chen, R, Wang, Z, Gao, F.G, Xia, C.
Deposit date:2016-11-10
Release date:2017-11-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.74 Å)
Cite:The Mechanism of beta 2m Molecule-Induced Changes in the Peptide Presentation Profile in a Bony Fish.
Iscience, 23, 2020
3OHI
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BU of 3ohi by Molmil
Structure of Giardia fructose-1,6-biphosphate aldolase in complex with 3-hydroxy-2-pyridone
Descriptor: ({3-hydroxy-2-oxo-4-[2-(phosphonooxy)ethyl]pyridin-1(2H)-yl}methyl)phosphonic acid, Putative fructose-1,6-bisphosphate aldolase, ZINC ION
Authors:Herzberg, O, Galkin, A.
Deposit date:2010-08-17
Release date:2011-01-19
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Rational design, synthesis and evaluation of first generation inhibitors of the Giardia lamblia fructose-1,6-biphosphate aldolase.
J.Inorg.Biochem., 105, 2010
5JB1
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BU of 5jb1 by Molmil
Pseudo-atomic structure of Human Papillomavirus Type 59 L1 Virus-like Particle
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Yan, X.D, Yu, H, Zheng, Q.B, Gu, Y, Li, S.W.
Deposit date:2016-04-13
Release date:2016-05-18
Last modified:2022-03-23
Method:ELECTRON MICROSCOPY (6 Å)
Cite:The C-Terminal Arm of the Human Papillomavirus Major Capsid Protein Is Immunogenic and Involved in Virus-Host Interaction.
Structure, 24, 2016
5J6R
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BU of 5j6r by Molmil
Crystal structure of Human Papillomavirus Type 59 L1 pentamer
Descriptor: Major capsid protein L1
Authors:Li, Z.H, Yan, X.D, Yu, H, Gu, Y, Li, S.W.
Deposit date:2016-04-05
Release date:2016-05-18
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (4.011 Å)
Cite:The C-Terminal Arm of the Human Papillomavirus Major Capsid Protein Is Immunogenic and Involved in Virus-Host Interaction.
Structure, 24, 2016
8CUX
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BU of 8cux by Molmil
Accurate computational design of genetically encoded 3D protein crystals
Descriptor: R3-1 Chain B
Authors:Bera, A.K, Natterman, U, Baker, D.
Deposit date:2022-05-17
Release date:2023-11-01
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Accurate computational design of three-dimensional protein crystals.
Nat Mater, 22, 2023
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
6IGD
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BU of 6igd by Molmil
Crystal structure of HPV58/33 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 (2.5 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
6IGF
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BU of 6igf by Molmil
Crystal structure of Human Papillomavirus type 52 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:2018-11-28
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.751 Å)
Cite:Rational design of a triple-type human papillomavirus vaccine by compromising viral-type specificity.
Nat Commun, 9, 2018
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
3C9E
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BU of 3c9e by Molmil
Crystal structure of the cathepsin K : chondroitin sulfate complex.
Descriptor: 2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid-(1-3)-2-acetamido-2-deoxy-4-O-sulfo-beta-D-galactopyranose-(1-4)-beta-D-glucopyranuronic acid, CALCIUM ION, Cathepsin K, ...
Authors:Kienetz, M, Cherney, M.M, James, M.N.G, Bromme, D.
Deposit date:2008-02-15
Release date:2008-08-26
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The crystal and molecular structures of a cathepsin K:chondroitin sulfate complex.
J.Mol.Biol., 383, 2008

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