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PDB: 177 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
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
4M1K
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BU of 4m1k 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:2013-08-02
Release date:2014-08-06
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.952 Å)
Cite:Crystal structure of elongation factor G (EFG)
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
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
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
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
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (1.601 Å)
Cite:Crystal structure of AtHPPD-Y19788 complex
To Be Published
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
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.598 Å)
Cite:Crystal structure of AtHPPD-YH20307 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
Last modified:2024-10-09
Method:ELECTRON MICROSCOPY (3.56 Å)
Cite:Cryo-EM structure of TMEM63C suggests it functions as a monomer.
Nat Commun, 14, 2023
8XC3
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BU of 8xc3 by Molmil
Crystal structure of ZmHSL1A-MBQ complex
Descriptor: 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 2-OXOGLUTARIC ACID, 2-oxoglutarate (2OG) and Fe(II)-dependent oxygenase superfamily protein, ...
Authors:Yang, G.-F, Lin, H.-Y, Dong, J.
Deposit date:2023-12-07
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.79 Å)
Cite:An artificially evolved gene for herbicide-resistant rice breeding.
Proc.Natl.Acad.Sci.USA, 121, 2024
8X7D
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BU of 8x7d by Molmil
Crystal structure of OsHSL1 L204F/F298L/I335F
Descriptor: 2-OXOGLUTARIC ACID, COBALT (II) ION, HPPD Inhibitor Sensitive 1-like 1 protein
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2023-11-23
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:An artificially evolved gene for herbicide-resistant rice breeding.
Proc.Natl.Acad.Sci.USA, 121, 2024
8X7C
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BU of 8x7c by Molmil
Crystal structure of ZmHSL1A
Descriptor: 2-OXOGLUTARIC ACID, 2-oxoglutarate (2OG) and Fe(II)-dependent oxygenase superfamily protein, COBALT (II) ION
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2023-11-23
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.597 Å)
Cite:An artificially evolved gene for herbicide-resistant rice breeding.
Proc.Natl.Acad.Sci.USA, 121, 2024
8X74
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BU of 8x74 by Molmil
Crystal structure of ZmHSL1A complexed with mesotrione
Descriptor: 2-OXOGLUTARIC ACID, 2-[(4-methylsulfonyl-2-nitro-phenyl)-oxidanyl-methylidene]cyclohexane-1,3-dione, 2-oxoglutarate (2OG) and Fe(II)-dependent oxygenase superfamily protein, ...
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2023-11-22
Release date:2024-10-02
Method:X-RAY DIFFRACTION (1.791 Å)
Cite:An artificially evolved gene for herbicide-resistant rice breeding.
Proc.Natl.Acad.Sci.USA, 121, 2024
8X6Q
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BU of 8x6q by Molmil
Crystal structure of OsHSL1 L204F/F298L/I335F complexed with 2-acetyl-cyclohexane-2,4-dione
Descriptor: 2-OXOGLUTARIC ACID, 2-ethanoyl-3-oxidanyl-cyclohex-2-en-1-one, COBALT (II) ION, ...
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2023-11-21
Release date:2024-10-02
Method:X-RAY DIFFRACTION (2.39 Å)
Cite:An artificially evolved gene for herbicide-resistant rice breeding.
Proc.Natl.Acad.Sci.USA, 121, 2024
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:2024-11-06
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
7XVH
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BU of 7xvh by Molmil
Crystal structure of AtHPPD-Y13287 complex
Descriptor: 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Lin, H.-Y, Dong, J, Yang, G.-F.
Deposit date:2022-05-23
Release date:2023-01-25
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.83 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:2024-10-16
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Complex structure of AtHPPD with Atovaquone
To Be Published

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PDB entries from 2024-11-06

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