3PNH
 
 | | Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in complex with 6-(((3R,4R)-4-(2-((2-FLUORO-2-(3-FLUOROPHENYL) ETHYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[(2R)-2-fluoro-2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2010-11-18 | | Release date: | 2011-10-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011
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3NLI
 | | Structure of endothelial nitric oxide synthase N368D mutant heme domain complexed with 6-{{(3'R,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-2-amine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2010-06-21 | | Release date: | 2010-11-03 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (1.98 Å) | | Cite: | Exploration of the Active Site of Neuronal Nitric Oxide Synthase by the Design and Synthesis of Pyrrolidinomethyl 2-Aminopyridine Derivatives.
J.Med.Chem., 53, 2010
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3N5Q
 | | Structure of endothelial nitric oxide synthase heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), CACODYLIC ACID, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2010-05-25 | | Release date: | 2011-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.9 Å) | | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
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3N67
 | | Structure of endothelial nitric oxide synthase N368D/V106M double mutant heme domain complexed with 6,6'-(2,2'-(5-amino-1,3-phenylene)bis(ethane-2,1-diyl))bis(4-methylpyridin-2-amine) | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, 6,6'-[(5-aminobenzene-1,3-diyl)diethane-2,1-diyl]bis(4-methylpyridin-2-amine), ACETATE ION, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2010-05-25 | | Release date: | 2011-02-09 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.09 Å) | | Cite: | Role of zinc in isoform-selective inhibitor binding to neuronal nitric oxide synthase .
Biochemistry, 49, 2010
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6WB9
 | | Structure of the S. cerevisiae ER membrane complex | | Descriptor: | (2S)-3-(hexadecanoyloxy)-2-[(9Z)-octadec-9-enoyloxy]propyl 2-(trimethylammonio)ethyl phosphate, 2-acetamido-2-deoxy-beta-D-glucopyranose, ER membrane protein complex subunit 1, ... | | Authors: | Bai, L, Li, H. | | Deposit date: | 2020-03-26 | | Release date: | 2020-06-03 | | Last modified: | 2020-09-02 | | Method: | ELECTRON MICROSCOPY (3 Å) | | Cite: | Structure of the ER membrane complex, a transmembrane-domain insertase.
Nature, 584, 2020
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8EVQ
 | | Hypopseudouridylated Ribosome bound with TSV IRES, eEF2, GDP, and sordarin, Structure I | | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ... | | Authors: | Zhao, Y, Rai, J, Li, H. | | Deposit date: | 2022-10-20 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (2.72 Å) | | Cite: | Regulation of translation by ribosomal RNA pseudouridylation.
Sci Adv, 9, 2023
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5XVA
 | | Crystal Structure of PAK4 in complex with inhibitor CZH216 | | Descriptor: | ETHANOL, Serine/threonine-protein kinase PAK 4, [6-chloranyl-4-[(5-methyl-1H-pyrazol-3-yl)amino]quinazolin-2-yl]-[(3R)-3-methylpiperazin-1-yl]methanone | | Authors: | Zhao, F, Li, H. | | Deposit date: | 2017-06-27 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (1.847 Å) | | Cite: | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
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5XVG
 | | Crystal Structure of PAK4 in complex with inhibitor CZH226 | | Descriptor: | 1,2-ETHANEDIOL, ETHANOL, Serine/threonine-protein kinase PAK 4, ... | | Authors: | Zhao, F, Li, H. | | Deposit date: | 2017-06-27 | | Release date: | 2018-02-07 | | Last modified: | 2023-11-22 | | Method: | X-RAY DIFFRACTION (2.1 Å) | | Cite: | Structure-Based Design of 6-Chloro-4-aminoquinazoline-2-carboxamide Derivatives as Potent and Selective p21-Activated Kinase 4 (PAK4) Inhibitors.
J. Med. Chem., 61, 2018
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8EWC
 | | Hypopseudouridylated yeast 80S bound with Taura syndrome virus (TSV) internal ribosome entry site (IRES), Structure II | | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ... | | Authors: | Zhao, Y, Rai, J, Li, H. | | Deposit date: | 2022-10-22 | | Release date: | 2023-09-06 | | Method: | ELECTRON MICROSCOPY (2.45 Å) | | Cite: | Regulation of translation by ribosomal RNA pseudouridylation.
Sci Adv, 9, 2023
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8EVT
 | | Hypopseudouridylated yeast 80S bound with Taura syndrome virus (TSV) internal ribosome entry site (IRES) refined against a composite map | | Descriptor: | 18S rRNA, 25S rRNA, 40S ribosomal protein S0-A, ... | | Authors: | Zhao, Y, Rai, J, Li, H. | | Deposit date: | 2022-10-20 | | Release date: | 2023-09-06 | | Last modified: | 2023-11-01 | | Method: | ELECTRON MICROSCOPY (2.2 Å) | | Cite: | Regulation of translation by ribosomal RNA pseudouridylation.
Sci Adv, 9, 2023
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6WGI
 | | Atomic model of the mutant OCCM (ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) loaded on DNA at 10.5 A resolution | | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (34-MER), ... | | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | | Deposit date: | 2020-04-05 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (10 Å) | | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WGG
 | | Atomic model of pre-insertion mutant OCCM-DNA complex(ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) | | Descriptor: | Cell division control protein 6, Cell division cycle protein CDT1, DNA (41-MER), ... | | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | | Deposit date: | 2020-04-05 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (8.1 Å) | | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WGC
 | | Atomic model of semi-attached mutant OCCM-DNA complex (ORC-Cdc6-Cdt1-Mcm2-7 with Mcm6 WHD truncation) | | Descriptor: | Cell division control protein 6, DNA (41-MER), DNA replication licensing factor MCM3, ... | | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | | Deposit date: | 2020-04-05 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (4.3 Å) | | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6WJV
 | | Structure of the Saccharomyces cerevisiae polymerase epsilon holoenzyme | | Descriptor: | DNA polymerase epsilon catalytic subunit A, DNA polymerase epsilon subunit B, DNA polymerase epsilon subunit C, ... | | Authors: | Yuan, Z, Georgescu, R, Schauer, G.D, O'Donnell, M, Li, H. | | Deposit date: | 2020-04-14 | | Release date: | 2020-07-08 | | Last modified: | 2024-10-16 | | Method: | ELECTRON MICROSCOPY (3.5 Å) | | Cite: | Structure of the polymerase epsilon holoenzyme and atomic model of the leading strand replisome.
Nat Commun, 11, 2020
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2ICW
 | | Crystal structure of a complete ternary complex between TCR, superantigen, and peptide-MHC class II molecule | | Descriptor: | HLA class II histocompatibility antigen, DR alpha chain, DRB1-1 beta chain, ... | | Authors: | Wang, L, Zhao, Y, Li, H. | | Deposit date: | 2006-09-13 | | Release date: | 2007-03-20 | | Last modified: | 2023-11-15 | | Method: | X-RAY DIFFRACTION (2.41 Å) | | Cite: | Crystal structure of a complete ternary complex of TCR, superantigen and peptide-MHC.
Nat.Struct.Mol.Biol., 14, 2007
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6WGF
 | | Atomic model of mutant Mcm2-7 hexamer with Mcm6 WHD truncation | | Descriptor: | DNA replication licensing factor MCM2, DNA replication licensing factor MCM3, DNA replication licensing factor MCM4, ... | | Authors: | Yuan, Z, Schneider, S, Dodd, T, Riera, A, Bai, L, Yan, C, Magdalou, I, Ivanov, I, Stillman, B, Li, H, Speck, C. | | Deposit date: | 2020-04-05 | | Release date: | 2020-07-15 | | Last modified: | 2024-03-06 | | Method: | ELECTRON MICROSCOPY (7.7 Å) | | Cite: | Structural mechanism of helicase loading onto replication origin DNA by ORC-Cdc6.
Proc.Natl.Acad.Sci.USA, 117, 2020
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6L5Z
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3JWT
 | | Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2009-09-18 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.01 Å) | | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
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3JX1
 | | Structure of rat neuronal nitric oxide synthase D597N mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2009-09-18 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2 Å) | | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
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3JWY
 | | Structure of endothelial nitric oxide synthase heme domain complexed with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2009-09-18 | | Release date: | 2010-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.24 Å) | | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
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3JWU
 | | Structure of rat neuronal nitric oxide synthase R349A mutant heme domain in complex with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2009-09-18 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (1.93 Å) | | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
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3JX4
 | | Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'R,4'S)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)ethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2009-09-18 | | Release date: | 2010-05-05 | | Last modified: | 2023-09-06 | | Method: | X-RAY DIFFRACTION (2.26 Å) | | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
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6IMA
 | | Crystal Structure of ALKBH1 without alpha-1 (N37-C369) | | Descriptor: | CITRIC ACID, Nucleic acid dioxygenase ALKBH1 | | Authors: | Zhang, M, Yang, S, Zhao, W, Li, H. | | Deposit date: | 2018-10-22 | | Release date: | 2020-01-22 | | Last modified: | 2020-04-08 | | Method: | X-RAY DIFFRACTION (2.593 Å) | | Cite: | Mammalian ALKBH1 serves as an N6-mA demethylase of unpairing DNA.
Cell Res., 30, 2020
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3DQS
 | | Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{cis-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(4'-chlorobenzyl)ethane-1,2-diamine | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLATE ION, ... | | Authors: | Igarashi, J, Li, H, Poulos, T.L. | | Deposit date: | 2008-07-09 | | Release date: | 2009-03-31 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.03 Å) | | Cite: | Crystal structures of constitutive nitric oxide synthases in complex with de novo designed inhibitors.
J.Med.Chem., 52, 2009
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3JWW
 | | Structure of endothelial nitric oxide synthase heme domain complexed with N1-[(3'S,4'S)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2- (3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride | | Descriptor: | 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, CACODYLIC ACID, ... | | Authors: | Delker, S.L, Li, H, Poulos, T.L. | | Deposit date: | 2009-09-18 | | Release date: | 2010-05-05 | | Last modified: | 2024-02-21 | | Method: | X-RAY DIFFRACTION (2.2 Å) | | Cite: | Unexpected binding modes of nitric oxide synthase inhibitors effective in the prevention of a cerebral palsy phenotype in an animal model.
J.Am.Chem.Soc., 132, 2010
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