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8BM2
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BU of 8bm2 by Molmil
Crystal structure of JAK2 JH1 in complex with gandotinib
Descriptor: 3-[(4-chloranyl-2-fluoranyl-phenyl)methyl]-2-methyl-~{N}-(5-methyl-1~{H}-pyrazol-3-yl)-8-(morpholin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine, Tyrosine-protein kinase JAK2
Authors:Miao, Y, Haikarainen, T.
Deposit date:2022-11-10
Release date:2023-11-22
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural basis for JAK2 inhibition by clinical stage inhibitors
To Be Published
8BPW
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BU of 8bpw by Molmil
Crystal structure of JAK2 JH1 in complex with lestaurtinib
Descriptor: Lestaurtinib, Tyrosine-protein kinase JAK2
Authors:Miao, Y, Haikarainen, T.
Deposit date:2022-11-18
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural basis for JAK2 inhibition by clinical stage inhibitors
To Be Published
8BPV
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BU of 8bpv by Molmil
Crystal structure of JAK2 JH1 in complex with pacritinib
Descriptor: 11-(2-pyrrolidin-1-yl-ethoxy)-14,19-dioxa-5,7,26-triaza-tetracyclo[19.3.1.1(2,6).1(8,12)]heptacosa-1(25),2(26),3,5,8,10,12(27),16,21,23-decaene, Tyrosine-protein kinase JAK2
Authors:Miao, Y, Haikarainen, T.
Deposit date:2022-11-18
Release date:2023-11-29
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural basis for JAK2 inhibition by clinical stage inhibitors
To Be Published
2B0K
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BU of 2b0k by Molmil
Crystal structure of the DB921-D(CGCGAATTCGCG)2 complex.
Descriptor: 2-(4'-AMIDINOBIPHENYL-4-YL)-1H-BENZIMIDAZOLE-5-AMIDINE, 5'-D(*CP*GP*CP*GP*AP*AP*TP*TP*CP*GP*CP*G)-3', MAGNESIUM ION
Authors:Miao, Y, Lee, M.P, Parkinson, G.N, Batista-Parra, A, Ismail, M.A, Neidle, S, Boykin, D.W, Wilson, W.D.
Deposit date:2005-09-14
Release date:2005-11-22
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.64 Å)
Cite:Out-of-Shape DNA Minor Groove Binders: Induced Fit Interactions of Heterocyclic Dications with the DNA Minor Groove.
Biochemistry, 44, 2005
5HUV
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BU of 5huv by Molmil
Structure of Candida albicans trehalose-6-phosphate synthase E341R/E346R in complex with UDP-glucose
Descriptor: Alpha,alpha-trehalose-phosphate synthase [UDP-forming], URIDINE-5'-DIPHOSPHATE-GLUCOSE
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-27
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.002 Å)
Cite:Structure of Candida albicans trehalose-6-phosphate synthase E341R/E346R in complex with UDP-glucose
To Be Published
5HVL
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BU of 5hvl by Molmil
Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and validoxylamine A
Descriptor: (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase [UDP-forming], SULFATE ION, ...
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-28
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.796 Å)
Cite:Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
5HVO
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BU of 5hvo by Molmil
Structure of Aspergillus fumigatus trehalose-6-phosphate synthase B in complex with UDP and validoxylamine A
Descriptor: (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), URIDINE-5'-DIPHOSPHATE
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-28
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.467 Å)
Cite:Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
5HUS
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BU of 5hus by Molmil
Structure of Candida albicans trehalose synthase regulatory protein C-terminal domain
Descriptor: trehalose synthase regulatory protein
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-27
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.751 Å)
Cite:Structure of Candida albicans trehalose synthase regulatory protein C-terminal domain
To Be Published
5HUU
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BU of 5huu by Molmil
Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP and glucose-6-phosphate
Descriptor: 6-O-phosphono-alpha-D-glucopyranose, Alpha,alpha-trehalose-phosphate synthase [UDP-forming], URIDINE-5'-DIPHOSPHATE
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-27
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
5HVM
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BU of 5hvm by Molmil
Structure of Aspergillus fumigatus trehalose-6-phosphate synthase A in complex with UDP and validoxylamine A
Descriptor: (1S,2S,3R,6S)-4-(HYDROXYMETHYL)-6-{[(1S,2S,3S,4R,5R)-2,3,4-TRIHYDROXY-5-(HYDROXYMETHYL)CYCLOHEXYL]AMINO}CYCLOHEX-4-ENE-1,2,3-TRIOL, Alpha,alpha-trehalose-phosphate synthase (UDP-forming), URIDINE-5'-DIPHOSPHATE
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-28
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2.815 Å)
Cite:Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
5HUT
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BU of 5hut by Molmil
Structure of Candida albicans trehalose-6-phosphate synthase in complex with UDP-glucose
Descriptor: Alpha,alpha-trehalose-phosphate synthase [UDP-forming], PENTAETHYLENE GLYCOL, SODIUM ION, ...
Authors:Miao, Y, Brennan, R.G.
Deposit date:2016-01-27
Release date:2017-05-03
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural and In Vivo Studies on Trehalose-6-Phosphate Synthase from Pathogenic Fungi Provide Insights into Its Catalytic Mechanism, Biological Necessity, and Potential for Novel Antifungal Drug Design.
MBio, 8, 2017
5DXN
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BU of 5dxn by Molmil
Structure of Aspergillus fumigatus trehalose-6-phosphate phosphatase crystal form 2
Descriptor: MAGNESIUM ION, trehalose-6-phosphate phosphatase
Authors:Miao, Y, Brennan, R.G.
Deposit date:2015-09-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DX9
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BU of 5dx9 by Molmil
Structure of trehalose-6-phosphate phosphatase from Cryptococcus neoformans
Descriptor: 6-O-phosphono-alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, BETA-MERCAPTOETHANOL, MAGNESIUM ION, ...
Authors:Miao, Y, Brennan, R.G.
Deposit date:2015-09-23
Release date:2016-06-15
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DXO
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BU of 5dxo by Molmil
Structure of Aspergillus fumigatus trehalose-6-phosphate phosphatase crystal form 3
Descriptor: MAGNESIUM ION, trehalose-6-phosphate phosphatase
Authors:Miao, Y, Brennan, R.G.
Deposit date:2015-09-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DXF
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BU of 5dxf by Molmil
Structure of Candida albicans trehalose-6-phosphate phosphatase N-terminal domain
Descriptor: trehalose-6-phosphate phosphatase
Authors:Miao, Y, Brennan, R.G.
Deposit date:2015-09-23
Release date:2016-06-15
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.563 Å)
Cite:Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DXI
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BU of 5dxi by Molmil
Structure of C. albicans Trehalose-6-phosphate phosphatase C-terminal domain
Descriptor: BERYLLIUM TRIFLUORIDE ION, MAGNESIUM ION, alpha-D-glucopyranose-(1-1)-alpha-D-glucopyranose, ...
Authors:Miao, Y, Brennan, R.G.
Deposit date:2015-09-23
Release date:2016-06-15
Last modified:2024-03-06
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
Proc.Natl.Acad.Sci.USA, 113, 2016
5DXL
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BU of 5dxl by Molmil
Structure of Aspergillus fumigatus trehalose-6-phosphate phosphatase crystal form 1
Descriptor: trehalose-6-phosphate phosphatase
Authors:Miao, Y, Brennan, R.G.
Deposit date:2015-09-23
Release date:2016-06-15
Last modified:2019-12-11
Method:X-RAY DIFFRACTION (1.573 Å)
Cite:Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
Proc.Natl.Acad.Sci.USA, 113, 2016
7R84
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BU of 7r84 by Molmil
Structure of mouse BAI1 (ADGRB1) TSR3 domain in P21 space group
Descriptor: Vasculostatin-120, alpha-D-mannopyranose, beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2022-05-25
Method:X-RAY DIFFRACTION (1.336 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
7R85
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BU of 7r85 by Molmil
Structure of mouse Bai1 (ADGRB1) TSR3 domain
Descriptor: Vasculostatin-120, alpha-D-mannopyranose, beta-D-glucopyranose-(1-3)-alpha-L-fucopyranose
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2022-05-25
Method:X-RAY DIFFRACTION (1.45 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
7R86
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BU of 7r86 by Molmil
Structure of mouse BAI1 (ADGRB1) in complex with mouse Nogo receptor (RTN4R)
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-AMINOBENZOIC ACID, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2021-06-26
Release date:2021-11-10
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:RTN4/NoGo-receptor binding to BAI adhesion-GPCRs regulates neuronal development.
Cell, 184, 2021
6NDZ
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BU of 6ndz by Molmil
Designed repeat protein in complex with Fz8
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, ACETATE ION, ACETIC ACID, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2018-12-14
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (2.264 Å)
Cite:Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
6NE2
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BU of 6ne2 by Molmil
Designed repeat protein in complex with Fz7
Descriptor: 1,2-ETHANEDIOL, 2-acetamido-2-deoxy-beta-D-glucopyranose, ACETATE ION, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2018-12-15
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.299 Å)
Cite:Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
6NE1
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BU of 6ne1 by Molmil
Designed repeat protein in complex with Fz4
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Frizzled-4, Pfs, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2018-12-15
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.011 Å)
Cite:Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
6NE4
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BU of 6ne4 by Molmil
Designed repeat protein specifically in complex with Fz7CRD
Descriptor: 1,2-ETHANEDIOL, Designed repeat binding protein, Frizzled-7, ...
Authors:Miao, Y, Jude, K.M, Garcia, K.C.
Deposit date:2018-12-16
Release date:2019-05-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.648 Å)
Cite:Receptor subtype discrimination using extensive shape complementary designed interfaces.
Nat.Struct.Mol.Biol., 26, 2019
3N6N
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BU of 3n6n by Molmil
crystal structure of EV71 RdRp in complex with Br-UTP
Descriptor: 5-bromouridine 5'-(tetrahydrogen triphosphate), NICKEL (II) ION, RNA-dependent RNA polymerase
Authors:Wu, Y, Lou, Z.Y, Miao, Y, Yu, Y, Rao, Z.H.
Deposit date:2010-05-26
Release date:2011-06-15
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (2.9 Å)
Cite:Structures of EV71 RNA-dependent RNA polymerase in complex with substrate and analogue provide a drug target against the hand-foot-and-mouth disease pandemic in China.
Protein Cell, 1, 2010

 

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