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7PSK
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BU of 7psk by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum in complex with covalent inhibitor GR109
分子名称: 2-acetamido-2-deoxy-6-O-sulfo-alpha-D-glucopyranose-(1-4)-(2R,3S,5R,6R)-2,3,4,5,6-pentakis(oxidanyl)cyclohexane-1-carboxylic acid, Beta-glucuronidase
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-10-09
実験手法X-RAY DIFFRACTION (1.09 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
7PSH
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BU of 7psh by Molmil
Crystal structure of beta-glucuronidase from Acidobacterium capsulatum at 1.24 Angstrom resolution
分子名称: Beta-glucuronidase
著者Armstrong, Z, Wu, L, Davies, G.J.
登録日2021-09-23
公開日2022-08-03
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.24 Å)
主引用文献Mechanism-based heparanase inhibitors reduce cancer metastasis in vivo.
Proc.Natl.Acad.Sci.USA, 119, 2022
4GA7
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BU of 4ga7 by Molmil
Crystal structure of human serpinB1 mutant
分子名称: Leukocyte elastase inhibitor
著者Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
登録日2012-07-25
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
4GAW
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BU of 4gaw by Molmil
Crystal structure of active human granzyme H
分子名称: CHLORIDE ION, Granzyme H, SULFATE ION
著者Wang, L, Li, Q, Wu, L, Zhang, K, Tong, L, Sun, F, Fan, Z.
登録日2012-07-25
公開日2013-01-16
最終更新日2023-11-08
実験手法X-RAY DIFFRACTION (3 Å)
主引用文献Identification of SERPINB1 as a physiological inhibitor of human granzyme H
J.Immunol., 190, 2013
5U3J
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BU of 5u3j by Molmil
Crystal Structure of DH511.1 Fab in Complex with HIV-1 gp41 MPER Peptide
分子名称: DH511.1 Heavy Chain, DH511.1 Light Chain, gp41 MPER peptide
著者Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F.
登録日2016-12-02
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.74 Å)
主引用文献Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
6IBR
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BU of 6ibr by Molmil
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol epoxide LWA481
分子名称: (2~{R},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-oxabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Wu, L, Davies, G.J.
登録日2018-11-30
公開日2019-10-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.02 Å)
主引用文献Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
5U3K
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BU of 5u3k by Molmil
Crystal Structure of DH511.2 Fab in Complex with HIV-1 gp41 MPER 662-683 Peptide
分子名称: CALCIUM ION, CHLORIDE ION, DH511.2 Fab Heavy Chain, ...
著者Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F.
登録日2016-12-02
公開日2017-02-15
最終更新日2019-12-11
実験手法X-RAY DIFFRACTION (2.637 Å)
主引用文献Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
6IBM
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Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfate ME776
分子名称: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
著者Rowland, R.J, Wu, L, Davies, G.J.
登録日2018-11-30
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.07 Å)
主引用文献Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
5U3N
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BU of 5u3n by Molmil
Crystal Structure of DH511.12P Fab in Complex with HIV-1 gp41 MPER Peptide
分子名称: DH511.12P Fab Heavy Chain, DH511.12P Fab Light Chain, gp41 MPER peptide
著者Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F.
登録日2016-12-02
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
6IBT
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BU of 6ibt by Molmil
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclophellitol aziridine ME737
分子名称: (1~{S},2~{S},3~{S},4~{S},5~{R},6~{S})-5-(hydroxymethyl)-7-azabicyclo[4.1.0]heptane-2,3,4-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Wu, L, Davies, G.J.
登録日2018-11-30
公開日2019-10-09
最終更新日2024-01-24
実験手法X-RAY DIFFRACTION (2.04 Å)
主引用文献Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
5U3M
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BU of 5u3m by Molmil
Crystal Structure of DH511.11P Fab in Complex with HIV-1 gp41 MPER Peptide
分子名称: DH511.11P Fab Heavy Chain, DH511.11P Fab Light Chain, gp41 MPER peptide
著者Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F.
登録日2016-12-02
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.418 Å)
主引用文献Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
6IBK
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BU of 6ibk by Molmil
Crystal structure of human alpha-galactosidase A in complex with alpha-galactose configured cyclosulfamidate ME763
分子名称: (3~{a}~{R},4~{S},5~{S},6~{S},7~{R},7~{a}~{S})-7-(hydroxymethyl)-2,2-bis(oxidanylidene)-3~{a},4,5,6,7,7~{a}-hexahydro-3~{H}-benzo[d][1,2,3]oxathiazole-4,5,6-triol, 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ...
著者Rowland, R.J, Wu, L, Davies, G.J.
登録日2018-11-30
公開日2019-10-09
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (1.99 Å)
主引用文献Alpha-d-Gal-cyclophellitol cyclosulfamidate is a Michaelis complex analog that stabilizes therapeutic lysosomal alpha-galactosidase A in Fabry disease
Chem Sci, 2019
5U3O
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BU of 5u3o by Molmil
Crystal Structure of DH511.2_K3 Fab in Complex with HIV-1 gp41 MPER Peptide
分子名称: DH511.2_K3 Fab Heavy Chain, DH511.2_K3 Fab Light Chain, gp41 MPER peptide
著者Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F.
登録日2016-12-02
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (1.761 Å)
主引用文献Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
5U3L
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BU of 5u3l by Molmil
Crystal Structure of DH511.2 Fab in Complex with HIV-1 gp41 MPER 670-683 Peptide
分子名称: DH511.2 Fab Heavy Chain, DH511.2 Fab Light Chain, gp41 MPER peptide
著者Ofek, G, Wu, L, Lougheed, C.S, Williams, L.D, Nicely, N.I, Haynes, B.F.
登録日2016-12-02
公開日2017-02-15
最終更新日2023-10-04
実験手法X-RAY DIFFRACTION (2.165 Å)
主引用文献Potent and broad HIV-neutralizing antibodies in memory B cells and plasma.
Sci Immunol, 2, 2017
4OHE
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BU of 4ohe by Molmil
LEOPARD Syndrome-Associated SHP2/G464A mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.506 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
4OHD
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BU of 4ohd by Molmil
LEOPARD Syndrome-Associated SHP2/A461T mutant
分子名称: Tyrosine-protein phosphatase non-receptor type 11
著者Yu, Z.H, Zhang, R.Y, Walls, C.D, Chen, L, Zhang, S, Wu, L, Wang, L, Liu, S, Zhang, Z.Y.
登録日2014-01-17
公開日2014-09-24
最終更新日2023-09-20
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Molecular basis of gain-of-function LEOPARD syndrome-associated SHP2 mutations.
Biochemistry, 53, 2014
3CKX
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BU of 3ckx by Molmil
Crystal structure of sterile 20-like kinase 3 (MST3, STK24) in complex with staurosporine
分子名称: STAUROSPORINE, Serine/threonine-protein kinase 24
著者Antonysamy, S.S, Burley, S.K, Buchanan, S, Chau, F, Feil, I, Wu, L, Sauder, J.M, New York SGX Research Center for Structural Genomics (NYSGXRC)
登録日2008-03-17
公開日2008-04-29
最終更新日2024-10-16
実験手法X-RAY DIFFRACTION (2.7 Å)
主引用文献Crystal structure of sterile 20-like kinase 3 (MST3, STK24) in complex with staurosporine.
To be Published
1PA9
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BU of 1pa9 by Molmil
Yersinia Protein-Tyrosine Phosphatase complexed with pNCS (Yop51,Pasteurella X,Ptpase,Yop51delta162) (Catalytic Domain, Residues 163-468) Mutant With Cys 235 Replaced By Arg (C235r)
分子名称: N,4-DIHYDROXY-N-OXO-3-(SULFOOXY)BENZENAMINIUM, Protein-tyrosine phosphatase yopH
著者Sun, J.P, Wu, L, Fedorov, A.A, Almo, S.C, Zhang, Z.Y.
登録日2003-05-13
公開日2003-11-04
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Crystal structure of the Yersinia protein-tyrosine phosphatase YopH complexed with a specific small molecule inhibitor
J.BIOL.CHEM., 278, 2003
8WKZ
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BU of 8wkz by Molmil
Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S31
分子名称: CALCIUM ION, Melanocortin receptor 4, OLEIC ACID, ...
著者Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S.
登録日2023-09-28
公開日2024-08-07
実験手法X-RAY DIFFRACTION (3.3 Å)
主引用文献Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design.
J.Med.Chem., 67, 2024
8WKY
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BU of 8wky by Molmil
Crystal structure of the Melanocortin-4 Receptor (MC4R) in complex with S25
分子名称: CALCIUM ION, Melanocortin receptor 4, N-(2-aminoethyl)-5-(2-{[4-(morpholin-4-yl)pyridin-2-yl]amino}-1,3-thiazol-5-yl)pyridine-3-carboxamide, ...
著者Gimenez, L.E, Martin, C, Yu, J, Hollanders, C, Hernandez, C, Dahir, N.S, Wu, Y, Yao, D, Han, G.W, Wu, L, Poorten, O.V, Lamouroux, A, Mannes, M, Tourwe, D, Zhao, S, Stevens, R.C, Cone, R.D, Ballet, S.
登録日2023-09-28
公開日2024-08-07
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Novel Cocrystal Structures of Peptide Antagonists Bound to the Human Melanocortin Receptor 4 Unveil Unexplored Grounds for Structure-Based Drug Design.
J.Med.Chem., 67, 2024
2KBR
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BU of 2kbr by Molmil
Solution structure of harmonin N terminal domain in complex with a internal peptide of cadherin23
分子名称: 18-meric peptide from Cadherin-23, Harmonin
著者Pan, L, Yan, J, Wu, L, Zhang, M.
登録日2008-12-05
公開日2009-03-31
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Assembling stable hair cell tip link complex via multidentate interactions between harmonin and cadherin 23
Proc.Natl.Acad.Sci.USA, 106, 2009
2KBS
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BU of 2kbs by Molmil
Solution structure of harmonin PDZ2 in complex with the carboxyl tail peptide of cadherin23
分子名称: Harmonin, octameric peptide from Cadherin-23
著者Pan, L, Yan, J, Wu, L, Zhang, M.
登録日2008-12-05
公開日2009-03-31
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Assembling stable hair cell tip link complex via multidentate interactions between harmonin and cadherin 23
Proc.Natl.Acad.Sci.USA, 106, 2009
5ZOA
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BU of 5zoa by Molmil
The crystal structure of a Thermobifida fusca cutinase
分子名称: BTA-hydrolase 1, CHLORIDE ION
著者Dong, Q.L, Wu, L, Wu, J, Zhou, J.H.
登録日2018-04-12
公開日2019-04-17
最終更新日2024-03-27
実験手法X-RAY DIFFRACTION (1.537 Å)
主引用文献The crystal structure of a cutinase from Thermobifida fusca
To Be Published
2KBQ
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BU of 2kbq by Molmil
Solution structure of harmonin N terminal domain
分子名称: Harmonin
著者Zhang, M, Pan, L, Yan, J, Wu, L.
登録日2008-12-05
公開日2009-03-31
最終更新日2024-05-29
実験手法SOLUTION NMR
主引用文献Assembling stable hair cell tip link complex via multidentate interactions between harmonin and cadherin 23
Proc.Natl.Acad.Sci.USA, 106, 2009
3EB1
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BU of 3eb1 by Molmil
Crystal structure PTP1B complex with small molecule inhibitor LZP-25
分子名称: 4-[3-(dibenzylamino)phenyl]-2,4-dioxobutanoic acid, Tyrosine-protein phosphatase non-receptor type 1
著者Liu, S, Zheng, L.-F, Wu, L, Yu, X, Xue, T, Gunawan, A.M, Long, Y.-Q, Zhang, Z.-Y.
登録日2008-08-26
公開日2009-07-07
最終更新日2024-02-21
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Targeting inactive enzyme conformation: aryl diketoacid derivatives as a new class of PTP1B inhibitors.
J.Am.Chem.Soc., 130, 2008

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