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PDB: 163 results

5WEQ
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BU of 5weq by Molmil
The crystal structure of a MR78 mutant
Descriptor: MR78 mutant Fab heavy chain, MR78 mutant light chain
Authors:Dong, J, Williamson, L.E, Crowe, J.E.
Deposit date:2017-07-10
Release date:2018-04-25
Method:X-RAY DIFFRACTION (2 Å)
Cite:Role of Non-local Interactions between CDR Loops in Binding Affinity of MR78 Antibody to Marburg Virus Glycoprotein.
Structure, 25, 2017
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
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
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
5D1I
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BU of 5d1i by Molmil
Structure of Cyclic nucleotide-binding-like protein from Brucella abortus bv. 1 str. 9-941
Descriptor: Cyclic nucleotide-binding protein
Authors:He, Z, Dong, J, Li, X, Gao, Y.
Deposit date:2015-08-04
Release date:2015-09-09
Last modified:2016-01-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal structure of cyclic nucleotide-binding-like protein from Brucella abortus
Biochem.Biophys.Res.Commun., 468, 2015
8JBW
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BU of 8jbw by Molmil
Crystal structure of ZtHPPD-(+)-Usnic acid complex
Descriptor: (9bR)-2,6-diethanoyl-8,9b-dimethyl-3,7,9-tris(oxidanyl)dibenzofuran-1-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2023-05-09
Release date:2024-04-03
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Discovery and Development of 4-Hydroxyphenylpyruvate Dioxygenase as a Novel Crop Fungicide Target.
J.Agric.Food Chem., 71, 2023
8J8X
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BU of 8j8x by Molmil
Crystal structure of AtHPPD-YH20307 complex
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, 5-(1,3-dimethyl-5-oxidanyl-pyrazol-4-yl)carbonyl-1,4-dimethyl-3-propan-2-yl-benzimidazol-2-one, COBALT (II) ION
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2023-05-02
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Crystal structure of AtHPPD-YH20307 complex
To Be Published
8J8W
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BU of 8j8w by Molmil
Crystal structure of AtHPPD-Y19788 complex
Descriptor: 2,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-phenyl-quinazolin-4-one, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2023-05-02
Release date:2024-05-08
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal structure of AtHPPD-Y19788 complex
To Be Published
8K0B
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BU of 8k0b by Molmil
Cryo-EM structure of TMEM63C
Descriptor: Calcium permeable stress-gated cation channel 1
Authors:Qin, Y, Yu, D, Dong, J, Dang, S.
Deposit date:2023-07-08
Release date:2023-12-06
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Cryo-EM structure of TMEM63C suggests it functions as a monomer.
Nat Commun, 14, 2023
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
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
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
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
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
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
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
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
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
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
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

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数据于2024-07-24公开中

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