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1FBZ
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BU of 1fbz by Molmil
Structure-based design of a novel, osteoclast-selective, nonpeptide Src SH2 inhibitor with in vivo anti-resorptive activity
分子名称: PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK, {4-[2-ACETYLAMINO-2-(3-CARBAMOYL-2-CYCLOHEXYLMETHOXY-6,7,8,9-TETRAHYDRO-5H-BENZOCYCLOHEPTEN-5YLCARBAMOYL)-ETHYL]-2-PHOSPHONO-PHENYL}-PHOSPHONIC ACID
著者Shakespeare, W, Yang, M, Bohacek, R, Cerasoli, F, Stebbis, K, Sundaramoorthi, R, Vu, C, Pradeepan, S, Metcalf, C, Haraldson, C, Merry, T, Dalgarno, D, Narula, S, Hatada, M, Lu, X, Van Schravendijk, M.R, Adams, S, Violette, S, Smith, J, Guan, W, Bartlett, C, Herson, J, Iuliucci, J, Weigele, M, Sawyer, T.
登録日2000-07-17
公開日2000-08-23
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Structure-based design of an osteoclast-selective, nonpeptide src homology 2 inhibitor with in vivo antiresorptive activity.
Proc.Natl.Acad.Sci.Usa, 97, 2000
3RUA
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BU of 3rua by Molmil
Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, UNKNOWN LIGAND, ...
著者Bhatt, V.S, Guan, W, Wang, P.G.
登録日2011-05-04
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase
TO BE PUBLISHED
3RUF
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BU of 3ruf by Molmil
Alternative analogs as viable substrates of UDP-hexose 4-epimerases
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, URIDINE-5'-DIPHOSPHATE, ...
著者Bhatt, V.S, Guan, W, Wang, P.G.
登録日2011-05-05
公開日2011-05-25
最終更新日2024-02-28
実験手法X-RAY DIFFRACTION (2 Å)
主引用文献Alternative analogs as viable substrates of UDP-hexose 4-epimerases
TO BE PUBLISHED
3RU9
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BU of 3ru9 by Molmil
Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase
分子名称: GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
著者Bhatt, V.S, Guan, W, Wang, P.G.
登録日2011-05-04
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.21 Å)
主引用文献Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase
TO BE PUBLISHED
3RUH
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BU of 3ruh by Molmil
Alternative analogs as viable substrates of UDP-hexose 4-epimerases
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, SULFATE ION, ...
著者Bhatt, V.S, Guan, W, Wang, P.G.
登録日2011-05-05
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.88 Å)
主引用文献Alternative analogs as viable substrates of UDP-hexose 4-epimerases
TO BE PUBLISHED
3RU7
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BU of 3ru7 by Molmil
Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase
分子名称: GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
著者Bhatt, V.S, Guan, W, Wang, P.G.
登録日2011-05-04
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase
TO BE PUBLISHED
3RUD
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BU of 3rud by Molmil
Alternative analogs as viable substrates of UDP-hexose 4-epimerases
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UNKNOWN LIGAND, WbgU
著者Bhatt, V.S, Guan, W, Wang, P.G.
登録日2011-05-05
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Alternative analogs as viable substrates of UDP-hexose 4-epimerases
TO BE PUBLISHED
3RUC
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BU of 3ruc by Molmil
Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE, ...
著者Bhatt, V.S, Guan, W, Wang, P.G.
登録日2011-05-04
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Specific recognition of N-acetylated substrates and domain flexibility in WbgU: a UDP-GalNAc 4-epimerase
TO BE PUBLISHED
3RUE
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BU of 3rue by Molmil
Alternative analogs as viable substrates of UDP-hexose 4-epimerases
分子名称: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UNKNOWN LIGAND, WbgU
著者Bhatt, V.S, Guan, W, Wang, P.G.
登録日2011-05-05
公開日2011-05-25
最終更新日2023-09-13
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Alternative analogs as viable substrates of UDP-hexose 4-epimerases
TO BE PUBLISHED
3LU1
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BU of 3lu1 by Molmil
Crystal Structure Analysis of WbgU: a UDP-GalNAc 4-epimerase
分子名称: GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
著者Bhatt, V.S, Guo, C.Y, Zhao, G, Yi, W, Liu, Z.J, Wang, P.G.
登録日2010-02-16
公開日2010-07-21
最終更新日2023-09-06
実験手法X-RAY DIFFRACTION (2.5 Å)
主引用文献Altered architecture of substrate binding region defines the unique specificity of UDP-GalNAc 4-epimerases.
Protein Sci., 20, 2011
1IJR
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BU of 1ijr by Molmil
Crystal structure of LCK SH2 complexed with nonpeptide phosphotyrosine mimetic
分子名称: (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK
著者Kawahata, N.H, Yang, M.H, Luke, G.P, Shakespeare, W.C, Sundaramoorthi, R.
登録日2001-04-27
公開日2002-05-01
最終更新日2024-02-07
実験手法X-RAY DIFFRACTION (2.2 Å)
主引用文献A novel phosphotyrosine mimetic 4'-carboxymethyloxy-3'-phosphonophenylalanine (Cpp): exploitation in the design of nonpeptide inhibitors of pp60(Src) SH2 domain.
Bioorg.Med.Chem.Lett., 11, 2001
8K0D
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BU of 8k0d by Molmil
Cryo-EM structure of conformation 2 of complex of Nipah virus attachment G with 1E5 neutralizing antibody
分子名称: Glycoprotein G, The heavy chain of 1E5, The light chain of 1E5
著者Sun, M.
登録日2023-07-08
公開日2024-05-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (2.94 Å)
主引用文献A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
8K3C
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BU of 8k3c by Molmil
Nipah virus Attachment glycoprotein with 41-6 antibody fragment
分子名称: Glycoprotein G, Heavy chain of 41-6 Fab fragments, Light chain of 41-6 Fab fragment
著者Sun, M.M.
登録日2023-07-15
公開日2024-05-01
実験手法ELECTRON MICROSCOPY (2.88 Å)
主引用文献Potent human neutralizing antibodies against Nipah virus derived from two ancestral antibody heavy chains.
Nat Commun, 15, 2024
8K0C
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BU of 8k0c by Molmil
Cryo-EM structure of conformation 1 of complex of Nipah virus attachment glycoprotein G with 1E5 neutralizing antibody
分子名称: Glycoprotein G, Heavy chain of 1E5 Fab fragments, Light chain of 1E5 Fab fragments
著者Sun, M.M.
登録日2023-07-08
公開日2024-05-01
最終更新日2024-06-05
実験手法ELECTRON MICROSCOPY (3.18 Å)
主引用文献A potent Henipavirus cross-neutralizing antibody reveals a dynamic fusion-triggering pattern of the G-tetramer.
Nat Commun, 15, 2024
8JA8
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BU of 8ja8 by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY with trehalose bound in a closed liganded form
分子名称: SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.6 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAB
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BU of 8jab by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-06
分子名称: (2~{S},3~{S},4~{R},5~{S},6~{R})-2-(fluoranylmethyl)-6-[(2~{R},3~{R},4~{S},5~{S},6~{S})-6-(fluoranylmethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-oxane-3,4,5-triol, SULFATE ION, Trehalose-binding lipoprotein LpqY
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAC
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BU of 8jac by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-16
分子名称: N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide, SULFATE ION, Trehalose-binding lipoprotein LpqY, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAD
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BU of 8jad by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-17
分子名称: BENZOIC ACID, SULFATE ION, Trehalose-binding lipoprotein LpqY, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.3 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JA7
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BU of 8ja7 by Molmil
Cryo-EM structure of Mycobacterium tuberculosis LpqY-SugABC in complex with trehalose
分子名称: Trehalose import ATP-binding protein SugC, Trehalose transport system permease protein SugA, Trehalose transport system permease protein SugB, ...
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-09-27
最終更新日2024-04-10
実験手法ELECTRON MICROSCOPY (3.02 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JA9
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BU of 8ja9 by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-03
分子名称: SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-(2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-10-04
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (2.1 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023
8JAA
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BU of 8jaa by Molmil
Crystal structure of Mycobacterium tuberculosis LpqY in complex with trehalose analogue YB-04
分子名称: (2~{S},3~{R},4~{S},5~{S},6~{S})-6-[(2-azanylhydrazinyl)methyl]oxane-2,3,4,5-tetrol, SULFATE ION, Trehalose-binding lipoprotein LpqY
著者Zhang, B, Liang, J, Rao, Z.
登録日2023-05-05
公開日2023-10-04
最終更新日2024-04-10
実験手法X-RAY DIFFRACTION (1.7 Å)
主引用文献Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023

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