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8I0Y
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BU of 8i0y by Molmil
Crystal structure of AtHPPD-Y191713 complex
Descriptor: 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION, ethyl 5-methyl-6-[(2-methyl-3-oxidanylidene-1H-pyrazol-4-yl)carbonyl]-4-oxidanylidene-3-phenyl-quinazoline-2-carboxylate
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2023-01-11
Release date:2023-12-20
Method:X-RAY DIFFRACTION (1.792 Å)
Cite:Crystal structure of AtHPPD-Y191713 complex
To Be Published
8I2S
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BU of 8i2s by Molmil
Crystal structure of AtHPPD-Y18979 complex
Descriptor: 1,5-dimethyl-3-(naphthalen-2-ylmethyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione, 4-hydroxyphenylpyruvate dioxygenase, COBALT (II) ION
Authors:Dong, J, Lin, H.-Y, Yang, G.-F.
Deposit date:2023-01-15
Release date:2023-12-20
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.592 Å)
Cite:Crystal structure of AtHPPD-Y18979 complex
To Be Published
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
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
4RVZ
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BU of 4rvz by Molmil
Crystal structure of tRNA fluorescent labeling enzyme
Descriptor: MAGNESIUM ION, N-(4-aminobutyl)-2-azidoacetamide, PHOSPHOMETHYLPHOSPHONIC ACID ADENYLATE ESTER, ...
Authors:Dong, J, Li, F, Wang, J, Gong, W.
Deposit date:2014-11-29
Release date:2015-03-11
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:A covalent approach for site-specific RNA labeling in Mammalian cells.
Angew.Chem.Int.Ed.Engl., 54, 2015
4TQN
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BU of 4tqn by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UL04
Descriptor: 1,2-ETHANEDIOL, 3-[(5-acetyl-2-ethoxyphenyl)carbamoyl]benzoic acid, CREB-binding protein
Authors:Dong, J, Caflisch, A.
Deposit date:2014-06-11
Release date:2015-06-24
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Discovery of CREBBP Bromodomain Inhibitors by High-Throughput Docking and Hit Optimization Guided by Molecular Dynamics.
J.Med.Chem., 59, 2016
5JRP
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BU of 5jrp by Molmil
crystal structure of monoclonal antibody MR78 Fab
Descriptor: SODIUM ION, marberg virus monoclonal antibody MR78 Fab heavy chain, marberg virus monoclonal antibody MR78 Fab light chain
Authors:Dong, J, Crowe, J.
Deposit date:2016-05-06
Release date:2017-11-08
Last modified:2024-10-16
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
6P9J
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BU of 6p9j by Molmil
crystal structure of human anti staphylococcus aureus antibody STAU-229 Fab
Descriptor: TRIS(HYDROXYETHYL)AMINOMETHANE, human anti staphylococcus aureus antibody STAU-229 Fab heavy chain, human anti staphylococcus aureus antibody STAU-229 Fab light chain
Authors:Dong, J, Crowe, J.E.
Deposit date:2019-06-10
Release date:2020-06-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Human V H 1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis.
Mbio, 10, 2019
6P9I
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BU of 6p9i by Molmil
crystal structure of human anti staphylococcus aureus antibody STAU-399 Fab
Descriptor: human anti staphylococcus aureus antibody STAU-399 Fab heavy chain, human anti staphylococcus aureus antibody STAU-399 Fab light chain
Authors:Dong, J, Crowe, J.E.
Deposit date:2019-06-10
Release date:2020-06-17
Last modified:2024-10-09
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Human V H 1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis.
Mbio, 10, 2019
6P9H
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BU of 6p9h by Molmil
Crystal structure of human anti staphylococcus aureus antibody STAU-281 Fab in complex with IsdB NEAT2 domain
Descriptor: Human anti staphylococcus aureus antibody STAU-281 Fab heavy chain, Human anti staphylococcus aureus antibody STAU-281 Fab light chain, Iron-regulated heme-iron binding protein
Authors:Dong, J, Crowe, J.E.
Deposit date:2019-06-10
Release date:2020-06-17
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.003 Å)
Cite:Human V H 1-69 Gene-Encoded Human Monoclonal Antibodies against Staphylococcus aureus IsdB Use at Least Three Distinct Modes of Binding To Inhibit Bacterial Growth and Pathogenesis.
Mbio, 10, 2019
3K8A
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BU of 3k8a by Molmil
Neisseria gonorrhoeae PriB
Descriptor: Putative primosomal replication protein
Authors:Lopper, M.E, Dong, J, George, N.P, Duckett, K.L, DeBeer, M.A.
Deposit date:2009-10-14
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:The crystal structure of Neisseria gonorrhoeae PriB reveals mechanistic differences among bacterial DNA replication restart pathways
Nucleic Acids Res., 38, 2010
5H85
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BU of 5h85 by Molmil
Crystal structure of the bromodomain of human CREBBP in complex with UO37D
Descriptor: CREB-binding protein, methyl 3-(7~{H}-purin-6-ylcarbamoyl)benzoate
Authors:Dong, J, Caflisch, A.
Deposit date:2015-12-23
Release date:2017-01-11
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.701 Å)
Cite:Binding Motifs in the CBP Bromodomain: An Analysis of 20 Crystal Structures of Complexes with Small Molecules.
ACS Med Chem Lett, 9, 2018
6DLB
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BU of 6dlb by Molmil
Crystal Structure of an influenza A hemagglutinin antibody Fab CH65:1203d4 chimera
Descriptor: CH65:1203d4 Fab heavy chain, CH65:1203d4 Fab light chain, SULFATE ION
Authors:Dong, J, Finn, J.A, Crowe, J.E.
Deposit date:2018-05-31
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Identification of Structurally Related Antibodies in Antibody Sequence Databases Using Rosetta-Derived Position-Specific Scoring.
Structure, 28, 2020
6DLA
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BU of 6dla by Molmil
Crystal structures of an influenza A hemagglutinin antibody Fab CH65:7969d2
Descriptor: CH65:7969d2 Fab heavy chain, CH65:7969d2 Fab light chain, SULFATE ION
Authors:Dong, J, Crowe, J.E, Finn, J.A.
Deposit date:2018-05-31
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.004 Å)
Cite:Identification of Structurally Related Antibodies in Antibody Sequence Databases Using Rosetta-Derived Position-Specific Scoring.
Structure, 28, 2020
6DL8
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BU of 6dl8 by Molmil
Crystal Structure of an influenza A hemagglutinin antibody Fab variant CH67:1203d4 chimera
Descriptor: CH67:1203d4 FAB light chain, Ch67:1203d4 FAB heavy chain
Authors:Dong, J, Finn, J.A, Crowe, J.E.
Deposit date:2018-05-31
Release date:2019-06-05
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.805 Å)
Cite:Identification of Structurally Related Antibodies in Antibody Sequence Databases Using Rosetta-Derived Position-Specific Scoring.
Structure, 28, 2020
5HCL
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BU of 5hcl by Molmil
Crystal Structure of the first bromodomain of BRD4 in complex with DMA
Descriptor: 1,2-ETHANEDIOL, Bromodomain-containing protein 4, ~{N},~{N}-dimethylethanamide
Authors:Dong, J, Weber, F.E, Caflisch, A.
Deposit date:2016-01-04
Release date:2017-01-25
Last modified:2024-01-10
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:N,N Dimethylacetamide a drug excipient that acts as bromodomain ligand for osteoporosis treatment.
Sci Rep, 7, 2017
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
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
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
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
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
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
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
4GF6
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BU of 4gf6 by Molmil
crystal structure of GFP with cuprum bound at the Incorporated metal Chelating Amino Acid PYZ151
Descriptor: CALCIUM ION, COPPER (II) ION, green fluorescent protein
Authors:Dong, J, Liu, X, Li, J, Wang, J, Gong, W.
Deposit date:2012-08-03
Release date:2012-08-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.1 Å)
Cite:Genetic incorporation of a metal-chelating amino Acid as a probe for protein electron transfer.
Angew.Chem.Int.Ed.Engl., 51, 2012
4GES
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BU of 4ges by Molmil
crystal structure of GFP-TYR151PYZ with an unnatural amino acid incorporation
Descriptor: Green fluorescent protein
Authors:Dong, J, Liu, X, Li, J, Wang, J, Gong, W.
Deposit date:2012-08-02
Release date:2012-08-29
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.23 Å)
Cite:Genetic incorporation of a metal-chelating amino Acid as a probe for protein electron transfer.
Angew.Chem.Int.Ed.Engl., 51, 2012

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數據於2024-10-30公開中

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