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4KGJ
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BU of 4kgj by Molmil
Crystal structure of human alpha-L-iduronidase complex with 5-fluoro-alpha-L-idopyranosyluronic acid fluoride
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 5-fluoro-alpha-L-idopyranosyluronic acid fluoride, ...
Authors:Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G.
Deposit date:2013-04-29
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.99 Å)
Cite:Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase.
Nat.Chem.Biol., 9, 2013
4KH2
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BU of 4kh2 by Molmil
Crystal structure of human alpha-L-iduronidase complex with 2-deoxy-2-fluoro-alpha-L-idopyranosyluronic acid fluoride
Descriptor: 2,6-anhydro-5-deoxy-5-fluoro-L-idonic acid, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G.
Deposit date:2013-04-29
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase.
Nat.Chem.Biol., 9, 2013
5CEO
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BU of 5ceo by Molmil
DLK in complex with inhibitor 2-((6-(3,3-difluoropyrrolidin-1-yl)-4-(1-(oxetan-3-yl)piperidin-4-yl)pyridin-2-yl)amino)isonicotinonitrile
Descriptor: 2-[[6-[3,3-bis(fluoranyl)pyrrolidin-1-yl]-4-[1-(oxetan-3-yl)piperidin-4-yl]pyridin-2-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.28 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEN
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BU of 5cen by Molmil
Crystal structure of DLK (kinase domain)
Descriptor: Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEQ
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BU of 5ceq by Molmil
DLK in complex with inhibitor 2-((1-cyclopentyl-5-(1-(oxetan-3-yl)piperidin-4-yl)-1H-pyrazol-3-yl)amino)isonicotinonitrile
Descriptor: 2-[[1-cyclopentyl-5-[1-(oxetan-3-yl)piperidin-4-yl]pyrazol-3-yl]amino]pyridine-4-carbonitrile, Mitogen-activated protein kinase kinase kinase 12
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.911 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
5CEP
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BU of 5cep by Molmil
DLK in complex with inhibitor N-(1-isopropyl-5-(piperidin-4-yl)-1H-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
Descriptor: Mitogen-activated protein kinase kinase kinase 12, N-(5-piperidin-4-yl-1-propan-2-yl-pyrazol-3-yl)-4-(trifluoromethyl)pyridin-2-amine
Authors:HARRIS, S.F, YIN, J.
Deposit date:2015-07-07
Release date:2015-10-14
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Scaffold-Hopping and Structure-Based Discovery of Potent, Selective, And Brain Penetrant N-(1H-Pyrazol-3-yl)pyridin-2-amine Inhibitors of Dual Leucine Zipper Kinase (DLK, MAP3K12).
J.Med.Chem., 58, 2015
4OBS
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BU of 4obs by Molmil
Crystal structure of human alpha-L-iduronidase in the P212121 form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, CHLORIDE ION, ...
Authors:Bie, H, Yin, J, He, X, Kermode, A.R, James, M.N.G.
Deposit date:2014-01-07
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Crystal structure of human alpha-L-iduronidase in the P212121 form
To be Published
4MJ2
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BU of 4mj2 by Molmil
Crystal structure of apo-iduronidase in the R3 form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ...
Authors:Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G.
Deposit date:2013-09-03
Release date:2013-09-18
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase.
Nat.Chem.Biol., 9, 2013
4MJ4
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BU of 4mj4 by Molmil
Human iduronidase apo structure P21 form
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, CHLORIDE ION, ...
Authors:Bie, H, Yin, J, He, X, Kermode, A.R, Goddard-Borger, E.D, Withers, S.G, James, M.N.G.
Deposit date:2013-09-03
Release date:2013-09-18
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.172 Å)
Cite:Insights into mucopolysaccharidosis I from the structure and action of alpha-L-iduronidase.
Nat.Chem.Biol., 9, 2013
4OBR
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BU of 4obr by Molmil
Crystal structure of human alpha-L-iduronidase complex with alpha-L-iduronic acid
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-L-iduronidase, ...
Authors:Bie, H.Y, Yin, J, He, X, Kermode, A.R, James, M.N.G.
Deposit date:2014-01-07
Release date:2015-01-14
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.46 Å)
Cite:Crystal structure of human alpha-L-iduronidase complex with alpha-L-iduronic acid
To be Published
6OBI
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BU of 6obi by Molmil
Remarkable rigidity of the single alpha-helical domain of myosin-VI revealed by NMR spectroscopy
Descriptor: Myosin-VI
Authors:Barnes, A, Shen, Y, Ying, J, Takagi, Y, Torchia, D.A, Sellers, J, Bax, A.
Deposit date:2019-03-20
Release date:2019-06-12
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Remarkable Rigidity of the Single alpha-Helical Domain of Myosin-VI As Revealed by NMR Spectroscopy.
J.Am.Chem.Soc., 141, 2019
4CSK
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BU of 4csk by Molmil
human Aquaporin
Descriptor: AQUAPORIN-1
Authors:Ruiz-Carrillo, D, To-Yiu-Ying, J, Darwis, D, Soon, C.H, Cornvik, T, Torres, J, Lescar, J.
Deposit date:2014-03-08
Release date:2014-12-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (3.28 Å)
Cite:Crystallization and Preliminary Crystallographic Analysis of Human Aquaporin 1 at a Resolution of 3.28 A.
Acta Crystallogr.,Sect.F, 70, 2014
2MK3
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BU of 2mk3 by Molmil
Solution NMR structure of gp41 ectodomain monomer on a DPC micelle
Descriptor: Transmembrane glycoprotein, chimeric construct
Authors:Roche, J, Louis, J.M, Grishaev, A, Ying, J, Bax, A.
Deposit date:2014-01-23
Release date:2014-02-19
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Dissociation of the trimeric gp41 ectodomain at the lipid-water interface suggests an active role in HIV-1 Env-mediated membrane fusion.
Proc.Natl.Acad.Sci.USA, 111, 2014
2K4C
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BU of 2k4c by Molmil
tRNAPhe-based homology model for tRNAVal refined against base N-H RDCs in two media and SAXS data
Descriptor: 76-MER
Authors:Grishaev, A, Ying, J, Canny, M.D, Pardi, A, Bax, A.
Deposit date:2008-06-04
Release date:2008-12-09
Last modified:2024-05-01
Method:SOLUTION NMR, SOLUTION SCATTERING
Cite:Solution structure of tRNAVal from refinement of homology model against residual dipolar coupling and SAXS data.
J.Biomol.Nmr, 42, 2008
1ZKR
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BU of 1zkr by Molmil
Crystal structure of the major cat allergen Fel d 1 (1+2)
Descriptor: Major allergen I polypeptide, fused chain 1, chain 2
Authors:Kaiser, L, Cirkovic Velickovic, T, Adedoyin, J, Thunberg, S, Gronlund, H, Gafvelin, G, van Hage, M, Achour, A.
Deposit date:2005-05-04
Release date:2006-05-16
Last modified:2017-07-26
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Crystal structure of the major cat allergen Fel d 1 (1+2)
To be Published
6URP
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BU of 6urp by Molmil
RDC refined solution structure of the insecticidal toxin Ta1a
Descriptor: U1-agatoxin-Ta1a
Authors:Ramanujam, V, Shen, Y, Ying, J, Mobli, M.
Deposit date:2019-10-24
Release date:2020-01-22
Last modified:2023-06-14
Method:SOLUTION NMR
Cite:Residual Dipolar Couplings for Resolving Cysteine Bridges in Disulfide-Rich Peptides.
Front Chem, 7, 2019
2EJN
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BU of 2ejn by Molmil
Structural characterization of the tetrameric form of the major cat allergen fel D 1
Descriptor: CALCIUM ION, Major allergen I polypeptide chain 1, chain 2
Authors:Kaiser, L, Velickovic, T.C, Badia-Martinez, D, Adedoyin, J, Thunberg, S, Hallen, D, Berndt, K, Gronlund, H, Gafvelin, G, van Hage, M, Achour, A.
Deposit date:2007-03-19
Release date:2007-04-17
Last modified:2023-10-25
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Structural characterization of the tetrameric form of the major cat allergen Fel d 1
J.Mol.Biol., 370, 2007
2N7J
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BU of 2n7j by Molmil
Sidechain chi1 distribution in B3 domain of protein G from extensive sets of residual dipolar couplings
Descriptor: Immunoglobulin G-binding protein G
Authors:Grishaev, A, Li, F, Ying, J, Bax, A.
Deposit date:2015-09-12
Release date:2015-10-14
Last modified:2024-05-01
Method:SOLUTION NMR
Cite:Side Chain Conformational Distributions of a Small Protein Derived from Model-Free Analysis of a Large Set of Residual Dipolar Couplings.
J.Am.Chem.Soc., 137, 2015
3FHQ
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BU of 3fhq by Molmil
Structure of endo-beta-N-acetylglucosaminidase A
Descriptor: 3AR,5R,6S,7R,7AR-5-HYDROXYMETHYL-2-METHYL-5,6,7,7A-TETRAHYDRO-3AH-PYRANO[3,2-D]THIAZOLE-6,7-DIOL, Endo-beta-N-acetylglucosaminidase, alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose
Authors:Jie, Y, Li, L, Shaw, N, Li, Y, Song, J, Zhang, W, Xia, C, Zhang, R, Joachimiak, A, Zhang, H.-C, Wang, L.-X, Wang, P, Liu, Z.-J.
Deposit date:2008-12-10
Release date:2009-05-05
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.452 Å)
Cite:Structural basis and catalytic mechanism for the dual functional endo-beta-N-acetylglucosaminidase A
Plos One, 4, 2009
7SQO
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BU of 7sqo by Molmil
Structure of the orexin-2 receptor(OX2R) bound to TAK-925, Gi and scFv16
Descriptor: Guanine nucleotide-binding protein G(I)/G(S)/G(O) subunit gamma-2, Guanine nucleotide-binding protein G(I)/G(S)/G(T) subunit beta-1, Guanine nucleotide-binding protein G(i) subunit alpha-1, ...
Authors:McGrath, A.P, Kang, Y, Flinspach, M.
Deposit date:2021-11-05
Release date:2022-05-25
Last modified:2022-07-06
Method:ELECTRON MICROSCOPY (3.17 Å)
Cite:Molecular mechanism of the wake-promoting agent TAK-925.
Nat Commun, 13, 2022
6PPG
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BU of 6ppg by Molmil
Crystal structure of IL17FF bound to Fab fragments of MCAF5352A
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, CADMIUM ION, Fab MCAF5352A heavy chain, ...
Authors:Huang, C.S, Yin, J.P, Hymowitz, S.G.
Deposit date:2019-07-06
Release date:2019-12-11
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Dissecting the molecular basis of high viscosity of monospecific and bispecific IgG antibodies.
Mabs, 12
6XM2
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BU of 6xm2 by Molmil
The structure of the 4A11.v7 antibody in complex with human TGFb2
Descriptor: 4A11.v7 heavy chain Fab (VH-CH1) IgG1 humanized, 4A11.v7 kappa light chain Fab (VL-CL) humanized, Transforming growth factor beta-2
Authors:Lupardus, P.J, Yin, J.P.
Deposit date:2020-06-29
Release date:2021-07-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.91 Å)
Cite:TGF beta 2 and TGF beta 3 isoforms drive fibrotic disease pathogenesis.
Sci Transl Med, 13, 2021
1JPY
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BU of 1jpy by Molmil
Crystal structure of IL-17F
Descriptor: 2-acetamido-2-deoxy-alpha-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Hymowitz, S.G, Filvaroff, E.H, Yin, J, Lee, J, Cai, L, Risser, P, Maruoka, M, Mao, W, Foster, J, Kelley, R, Pan, G, Gurney, A.L, de Vos, A.M, Starovasnik, M.A.
Deposit date:2001-08-03
Release date:2001-09-28
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.85 Å)
Cite:IL-17s adopt a cystine knot fold: structure and activity of a novel cytokine, IL-17F, and implications for receptor binding.
EMBO J., 20, 2001
7SKU
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BU of 7sku by Molmil
Nipah virus matrix protein in complex with PI(4,5)P2
Descriptor: Matrix protein, SULFATE ION, [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate
Authors:Norris, M.J, Saphire, E.O.
Deposit date:2021-10-21
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.117 Å)
Cite:Measles and Nipah virus assembly: Specific lipid binding drives matrix polymerization.
Sci Adv, 8, 2022
7SKS
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BU of 7sks by Molmil
Crystal structure of measles virus matrix protein
Descriptor: Matrix protein
Authors:Norris, M.J, Saphire, E.O.
Deposit date:2021-10-21
Release date:2022-08-24
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (2.541 Å)
Cite:Measles and Nipah virus assembly: Specific lipid binding drives matrix polymerization.
Sci Adv, 8, 2022

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數據於2024-09-18公開中

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