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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
Descriptor: 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
Authors: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.
Deposit date:2000-07-17
Release date:2000-08-23
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.4 Å)
Cite: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
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, UNKNOWN LIGAND, ...
Authors:Bhatt, V.S, Guan, W, Wang, P.G.
Deposit date:2011-05-04
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, URIDINE-5'-DIPHOSPHATE, ...
Authors:Bhatt, V.S, Guan, W, Wang, P.G.
Deposit date:2011-05-05
Release date:2011-05-25
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite: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
Descriptor: GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, ...
Authors:Bhatt, V.S, Guan, W, Wang, P.G.
Deposit date:2011-05-04
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.21 Å)
Cite: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
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, SULFATE ION, ...
Authors:Bhatt, V.S, Guan, W, Wang, P.G.
Deposit date:2011-05-05
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.88 Å)
Cite: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
Descriptor: GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Bhatt, V.S, Guan, W, Wang, P.G.
Deposit date:2011-05-04
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.6 Å)
Cite: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
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UNKNOWN LIGAND, WbgU
Authors:Bhatt, V.S, Guan, W, Wang, P.G.
Deposit date:2011-05-05
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SULFATE ION, URIDINE-DIPHOSPHATE-N-ACETYLGALACTOSAMINE, ...
Authors:Bhatt, V.S, Guan, W, Wang, P.G.
Deposit date:2011-05-04
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: NICOTINAMIDE-ADENINE-DINUCLEOTIDE, UNKNOWN LIGAND, WbgU
Authors:Bhatt, V.S, Guan, W, Wang, P.G.
Deposit date:2011-05-05
Release date:2011-05-25
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8 Å)
Cite: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
Descriptor: GLYCINE, NICOTINAMIDE-ADENINE-DINUCLEOTIDE, SODIUM ION, ...
Authors:Bhatt, V.S, Guo, C.Y, Zhao, G, Yi, W, Liu, Z.J, Wang, P.G.
Deposit date:2010-02-16
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite: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
Descriptor: (4-{2-ACETYLAMINO-2-[1-(3-CARBAMOYL-4-CYCLOHEXYLMETHOXY-PHENYL)-ETHYLCARBAMOYL}-ETHYL}-2-PHOSPHONO-PHENOXY)-ACETIC ACID, PROTO-ONCOGENE TYROSINE-PROTEIN KINASE LCK
Authors:Kawahata, N.H, Yang, M.H, Luke, G.P, Shakespeare, W.C, Sundaramoorthi, R.
Deposit date:2001-04-27
Release date:2002-05-01
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.2 Å)
Cite: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
Descriptor: Glycoprotein G, The heavy chain of 1E5, The light chain of 1E5
Authors:Sun, M.
Deposit date:2023-07-08
Release date:2024-05-01
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (2.94 Å)
Cite: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
Descriptor: Glycoprotein G, Heavy chain of 41-6 Fab fragments, Light chain of 41-6 Fab fragment
Authors:Sun, M.M.
Deposit date:2023-07-15
Release date:2024-05-01
Method:ELECTRON MICROSCOPY (2.88 Å)
Cite: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
Descriptor: Glycoprotein G, Heavy chain of 1E5 Fab fragments, Light chain of 1E5 Fab fragments
Authors:Sun, M.M.
Deposit date:2023-07-08
Release date:2024-05-01
Last modified:2024-06-05
Method:ELECTRON MICROSCOPY (3.18 Å)
Cite: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
Descriptor: SULFATE ION, Trehalose-binding lipoprotein LpqY, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose
Authors:Zhang, B, Liang, J, Rao, Z.
Deposit date:2023-05-05
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.6 Å)
Cite: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
Descriptor: (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
Authors:Zhang, B, Liang, J, Rao, Z.
Deposit date:2023-05-05
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite: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
Descriptor: N-[[(2R,3S,4S,5R,6S)-3,4,5,6-tetrakis(oxidanyl)oxan-2-yl]methyl]ethanamide, SULFATE ION, Trehalose-binding lipoprotein LpqY, ...
Authors:Zhang, B, Liang, J, Rao, Z.
Deposit date:2023-05-05
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: BENZOIC ACID, SULFATE ION, Trehalose-binding lipoprotein LpqY, ...
Authors:Zhang, B, Liang, J, Rao, Z.
Deposit date:2023-05-05
Release date:2023-09-27
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.3 Å)
Cite: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
Descriptor: Trehalose import ATP-binding protein SugC, Trehalose transport system permease protein SugA, Trehalose transport system permease protein SugB, ...
Authors:Zhang, B, Liang, J, Rao, Z.
Deposit date:2023-05-05
Release date:2023-09-27
Last modified:2024-04-10
Method:ELECTRON MICROSCOPY (3.02 Å)
Cite: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
Descriptor: 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
Authors:Zhang, B, Liang, J, Rao, Z.
Deposit date:2023-05-05
Release date:2023-10-04
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (2.1 Å)
Cite: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
Descriptor: (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
Authors:Zhang, B, Liang, J, Rao, Z.
Deposit date:2023-05-05
Release date:2023-10-04
Last modified:2024-04-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Molecular recognition of trehalose and trehalose analogues by Mycobacterium tuberculosis LpqY-SugABC.
Proc.Natl.Acad.Sci.USA, 120, 2023

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