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PDB: 160 results

5E0R
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BU of 5e0r by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with AYC
Descriptor: 2-[(chloroacetyl)amino]-5-[(E)-(4-sulfophenyl)diazenyl]benzenesulfonic acid, Bromodomain-containing protein 4, DIMETHYL SULFOXIDE
Authors:Dong, J, Caflisch, A.
Deposit date:2015-09-29
Release date:2016-10-12
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.352 Å)
Cite:Crystal Structure of the first bromodomain of BRD4 in complex with AYC
To Be Published
5EPB
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BU of 5epb by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
Descriptor: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-[(2~{S})-2-morpholin-4-ylpropyl]-4-oxidanylidene-3,5-dihydro-2~{H}-1,5-benzothiazepine-7-carboxamide
Authors:Dong, J, Caflisch, A.
Deposit date:2015-11-11
Release date:2016-11-23
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Crystal structure of the bromodomain of human ATAD2 in complex with Compound 49
To Be Published
5F3A
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BU of 5f3a by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
Descriptor: ATPase family AAA domain-containing protein 2, SULFATE ION, ~{N}-(4-ethanoyl-1,3-thiazol-2-yl)azetidin-1-ium-3-carboxamide
Authors:Dong, J, Caflisch, A.
Deposit date:2015-12-02
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.599 Å)
Cite:Crystal structure of the bromodomain of human ATAD2 in complex with Compound A14
To Be Published
5F36
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BU of 5f36 by Molmil
Crystal structure of the bromodomain of human ATAD2 in complex with Compound A12
Descriptor: ATPase family AAA domain-containing protein 2, CHLORIDE ION, SULFATE ION, ...
Authors:Dong, J, Caflisch, A.
Deposit date:2015-12-02
Release date:2016-12-14
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Hitting a Moving Target: Simulation and Crystallography Study of ATAD2 Bromodomain Blockers.
Acs Med.Chem.Lett., 11, 2020
8WQM
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BU of 8wqm by Molmil
Complex structure of AtHPPD with Atovaquone
Descriptor: 2-[trans-4-(4-chlorophenyl)cyclohexyl]-3-hydroxynaphthalene-1,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Yang, G.-F, Lin, H.-Y, Dong, J.
Deposit date:2023-10-11
Release date:2024-03-13
Last modified:2024-04-17
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Complex structure of AtHPPD with Atovaquone
To Be Published
5X5X
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BU of 5x5x by Molmil
Crystal structure of the Fab fragment of anti-osteocalcin C-terminal peptide antibody KTM219
Descriptor: DI(HYDROXYETHYL)ETHER, FORMIC ACID, Fd chain of anti-osteocalcin antibody KTM219, ...
Authors:Komatsu, M, Dong, J, Ueda, H, Arai, R.
Deposit date:2017-02-18
Release date:2018-02-21
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the Fab fragment of anti-osteocalcin C-terminal peptide antibody KTM219
To be published
4MYU
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BU of 4myu by Molmil
Crystal structure of elongation factor G mutant(EFG)
Descriptor: Elongation factor G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Liu, G, Dong, J, Gong, W, Qin, Y.
Deposit date:2013-09-28
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.004 Å)
Cite:Crystal structure of elongation factor G mutant(EFG)
To be published
4MYT
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BU of 4myt by Molmil
Crystal structure of elongation factor G (EFG)
Descriptor: Elongation factor G, GUANOSINE-5'-DIPHOSPHATE, MAGNESIUM ION
Authors:Liu, G, Dong, J, Gong, W, Qin, Y.
Deposit date:2013-09-28
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.505 Å)
Cite:Crystal structure of elongation factor G (EFG)
To be published
6TTE
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BU of 6tte by Molmil
Beta-galactosidase in complex with PETG
Descriptor: 2-phenylethyl 1-thio-beta-D-galactopyranoside, Beta-galactosidase, MAGNESIUM ION
Authors:Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
Deposit date:2019-12-27
Release date:2020-01-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.2 Å)
Cite:Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TTI
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BU of 6tti by Molmil
PKM2 in complex with Compound 6
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, DIMETHYL SULFOXIDE, Pyruvate kinase PKM, ...
Authors:Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
Deposit date:2019-12-27
Release date:2020-01-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.5 Å)
Cite:Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TSH
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BU of 6tsh by Molmil
Beta-galactosidase in complex with deoxygalacto-nojirimycin
Descriptor: (2R,3S,4R,5S)-2-(hydroxymethyl)piperidine-3,4,5-triol, Beta-galactosidase, MAGNESIUM ION
Authors:Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
Deposit date:2019-12-20
Release date:2020-01-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TTH
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BU of 6tth by Molmil
PKM2 in complex with L-threonine
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, Pyruvate kinase PKM, THREONINE
Authors:Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
Deposit date:2019-12-27
Release date:2020-01-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.6 Å)
Cite:Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TTQ
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BU of 6ttq by Molmil
PKM2 in complex with Compound 10
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 1-propan-2-yl-3-pyridin-4-yl-urea, Pyruvate kinase PKM
Authors:Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
Deposit date:2019-12-30
Release date:2020-01-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.7 Å)
Cite:Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TSK
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BU of 6tsk by Molmil
Beta-galactosidase in complex with L-ribose
Descriptor: Beta-galactosidase, MAGNESIUM ION, beta-L-ribopyranose
Authors:Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
Deposit date:2019-12-20
Release date:2020-01-08
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (2.3 Å)
Cite:Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
6TTF
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BU of 6ttf by Molmil
PKM2 in complex with Compound 5
Descriptor: 1,6-di-O-phosphono-beta-D-fructofuranose, 5-hydroxynaphthalene-1-sulfonamide, Pyruvate kinase PKM
Authors:Saur, M, Hartshorn, M.J, Dong, J, Reeks, J, Bunkoczi, G, Jhoti, H, Williams, P.A.
Deposit date:2019-12-27
Release date:2020-01-15
Last modified:2024-05-22
Method:ELECTRON MICROSCOPY (3.2 Å)
Cite:Fragment-based drug discovery using cryo-EM.
Drug Discov Today, 25, 2020
8HOW
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BU of 8how by Molmil
Crystal structure of AtHPPD-Y191052 complex
Descriptor: 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(2-phenylethyl)quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Yang, G.-F, Lin, H.-Y, Dong, J.
Deposit date:2022-12-11
Release date:2023-01-25
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:Discovery of Subnanomolar Inhibitors of 4-Hydroxyphenylpyruvate Dioxygenase via Structure-Based Rational Design.
J.Agric.Food Chem., 71, 2023
6U07
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BU of 6u07 by Molmil
Computational Stabilization of T Cell Receptor Constant Domains
Descriptor: MAGNESIUM ION, Stabilized T cell receptor constant domain (Calpha), Stabilized T cell receptor constant domain (Cbeta)
Authors:Froning, K, Maguire, J, Sereno, A, Huang, F, Chang, S, Weichert, K, Frommelt, A.J, Dong, J, Wu, X, Austin, H, Conner, E.M, Fitchett, J.R, Heng, A.R, Balasubramaniam, D, Hilgers, M.T, Kuhlman, B, Demarest, S.J.
Deposit date:2019-08-13
Release date:2020-04-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Computational stabilization of T cell receptors allows pairing with antibodies to form bispecifics.
Nat Commun, 11, 2020
3K3Q
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BU of 3k3q by Molmil
Crystal Structure of a Llama Antibody complexed with the C. Botulinum Neurotoxin Serotype A Catalytic Domain
Descriptor: Botulinum neurotoxin type A, ZINC ION, llama Aa1 VHH domain
Authors:Thompson, A.A, Dong, J, Marks, J.D, Stevens, R.C.
Deposit date:2009-10-04
Release date:2010-02-23
Last modified:2017-11-01
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A Single-Domain Llama Antibody Potently Inhibits the Enzymatic Activity of Botulinum Neurotoxin by Binding to the Non-Catalytic alpha-Exosite Binding Region.
J.Mol.Biol., 397, 2010
1ON8
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BU of 1on8 by Molmil
Crystal structure of mouse alpha-1,4-N-acetylhexosaminyltransferase (EXTL2) with UDP and GlcUAb(1-3)Galb(1-O)-naphthalenelmethanol an acceptor substrate analog
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ...
Authors:Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M.
Deposit date:2003-02-27
Release date:2003-04-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Crystal structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
1OMZ
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BU of 1omz by Molmil
crystal structure of mouse alpha-1,4-N-acetylhexosaminyltransferase (EXTL2) in complex with UDPGalNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ...
Authors:Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M.
Deposit date:2003-02-26
Release date:2003-04-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crystal structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
4HK4
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BU of 4hk4 by Molmil
Crystal structure of apo Tyrosine-tRNA ligase mutant protein
Descriptor: DI(HYDROXYETHYL)ETHER, Tyrosine--tRNA ligase
Authors:Yu, Y, Zhou, Q, Dong, J, Li, J, Xiaoxuan, L, Mukherjee, A, Ouyang, H, Nilges, M, Li, H, Gao, F, Gong, W, Lu, Y, Wang, J.
Deposit date:2012-10-15
Release date:2013-04-17
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.298 Å)
Cite:Crystal structure of apo Tyrosine-tRNA ligase mutant protein
To be Published
4HPW
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BU of 4hpw by Molmil
Crystal structure of Tyrosine-tRNA ligase mutant complexed with unnatural amino acid 3-o-methyl-Tyrosine
Descriptor: 3-methoxy-L-tyrosine, Tyrosine--tRNA ligase
Authors:Yu, Y, Zhou, Q, Dong, J, Li, J, Xiaoxuan, L, Mukherjee, A, Ouyang, H, Nilges, M, Li, H, Gao, F, Gong, W, Lu, Y, Wang, J.
Deposit date:2012-10-24
Release date:2013-10-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.998 Å)
Cite:Crystal structure of Tyrosine-tRNA ligase mutant complexed with unnatural amino acid 3-o-methyl-Tyrosine
To be Published
1OMX
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BU of 1omx by Molmil
Crystal structure of mouse alpha-1,4-N-acetylhexosaminyltransferase (EXTL2)
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2
Authors:Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M.
Deposit date:2003-02-26
Release date:2003-04-22
Last modified:2017-10-11
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Crystal structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
1ON6
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BU of 1on6 by Molmil
Crystal structure of mouse alpha-1,4-N-acetylhexosaminotransferase (EXTL2) in complex with UDPGlcNAc
Descriptor: 1,2-ETHANEDIOL, Alpha-1,4-N-acetylhexosaminyltransferase EXTL2, MANGANESE (II) ION, ...
Authors:Pedersen, L.C, Dong, J, Taniguchi, F, Kitagawa, H, Krahn, J.M, Pedersen, L.G, Sugahara, K, Negishi, M.
Deposit date:2003-02-27
Release date:2003-04-22
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal Structure of an alpha-1,4-N-acetylhexosaminyltransferase (EXTL2), a member of the exostosin gene family involved in heparan sulfate biosynthesis
J.Biol.Chem., 278, 2003
1XF7
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BU of 1xf7 by Molmil
High Resolution NMR Structure of the Wilms' Tumor Suppressor Protein (WT1) Finger 3
Descriptor: Wilms' Tumor Protein, ZINC ION
Authors:Lachenmann, M.J, Ladbury, J.E, Dong, J, Huang, K, Carey, P, Weiss, M.A.
Deposit date:2004-09-14
Release date:2004-12-14
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Why zinc fingers prefer zinc: ligand-field symmetry and the hidden thermodynamics of metal ion selectivity
Biochemistry, 43, 2004

221051

數據於2024-06-12公開中

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