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3UFU
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STRUCTURE OF RAT NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2012-08-01
Method:X-RAY DIFFRACTION (1.886 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFV
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STRUCTURE OF RAT NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 4-METHYL-6-(((3R,4R)-4-((5-(4-METHYLPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.078 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
3UFW
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STRUCTURE OF RAT NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3R,4R)-4-((5-(6-AMINOPYRIDIN-2-YL)PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2011-11-01
Release date:2012-07-11
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
4EUX
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(5-(((3R,4R)-4-((6-AMINO-4-METHYLPYRIDIN-2-YL)METHYL)PYRROLIDIN-3-YL)OXY)PENTYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2012-04-25
Release date:2012-07-11
Last modified:2017-11-15
Method:X-RAY DIFFRACTION (2.14 Å)
Cite:Selective monocationic inhibitors of neuronal nitric oxide synthase. Binding mode insights from molecular dynamics simulations.
J.Am.Chem.Soc., 134, 2012
4Z7K
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CRYSTAL STRUCTURE OF CRISPR RNA PROCESSING ENDORIBONUCLEASE CAS6B
Descriptor:Cas6b, RNA/DNA Hybrid (31-MER)
Authors:Li, H.
Deposit date:2015-04-07
Release date:2016-04-13
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (3 Å)
Cite:A Non-Stem-Loop CRISPR RNA Is Processed by Dual Binding Cas6.
Structure, 24, 2016
4Z7L
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CRYSTAL STRUCTURE OF CAS6B
Descriptor:Cas6b, RNA (5'-R(*GP*CP*AP*AP*AP*AP*UP*AP*AP*CP*AP*AP*GP*C)-3'), SULFATE ION
Authors:Li, H.
Deposit date:2015-04-07
Release date:2016-04-13
Last modified:2018-08-29
Method:X-RAY DIFFRACTION (3.503 Å)
Cite:A Non-Stem-Loop CRISPR RNA Is Processed by Dual Binding Cas6.
Structure, 24, 2016
5B75
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CRYSTAL STRUCTURE OF MOZ DOUBLE PHD FINGER IN COMPLEX WITH HISTONE H3 BUTYRYLATION AT K14
Descriptor:Histone acetyltransferase KAT6A, Histone H3, ZINC ION, ...
Authors:Li, H., Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.704 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B76
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CRYSTAL STRUCTURE OF MOZ DOUBLE PHD FINGER DOMAIN IN COMPLEX WITH HISTONE H3 CROTONYLATION AT K14
Descriptor:Histone acetyltransferase KAT6A, Histone H3, ZINC ION, ...
Authors:Li, H., Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.653 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B77
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CRYSTAL STRUCTRUE OF MOZ DOUBLE PHD FINGER IN COMPLEX WITH HISTONE H3 PROPIONYLATION AT K14
Descriptor:Histone acetyltransferase KAT6A, Histone H3, ZINC ION, ...
Authors:Li, H., Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.551 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B78
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CRYSTAL STRUCTURE OF MOZ DOUBLE PHD FINGER MUTANT-S210D/N235R IN COMPLEX WITH HISTONE H3 CROTONYLATION AT K14
Descriptor:Histone acetyltransferase KAT6A, Histone H3, ZINC ION
Authors:Li, H., Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (1.4 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5B79
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CRYSTAL STRUCTURE OF DPF2 DOUBLE PHD FINGER
Descriptor:Zinc finger protein ubi-d4, ZINC ION
Authors:Li, H., Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2016-11-30
Method:X-RAY DIFFRACTION (2.601 Å)
Cite:Selective recognition of histone crotonylation by double PHD fingers of MOZ and DPF2
Nat.Chem.Biol., 12, 2016
5JLB
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CRYSTAL STRUCTURE OF SETD2 BOUND TO HISTONE H3.3 K36I PEPTIDE
Descriptor:Histone-lysine N-methyltransferase SETD2, Histone H3.3, S-ADENOSYL-L-HOMOCYSTEINE, ...
Authors:Li, H., Yang, S.
Deposit date:2016-04-26
Release date:2016-11-02
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase
Genes Dev., 30, 2016
5JLE
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CRYSTAL STRUCTURE OF SETD2 BOUND TO SAH
Descriptor:Histone-lysine N-methyltransferase SETD2, ZINC ION, S-ADENOSYL-L-HOMOCYSTEINE
Authors:Li, H., Yang, S., Zheng, X.
Deposit date:2016-04-27
Release date:2016-11-02
Last modified:2017-08-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase
Genes Dev., 30, 2016
5KZF
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CRYSTAL STRUCTURE OF NEAR FULL-LENGTH HEXAMERIC MYCOBACTERIUM TUBERCULOSIS PROTEASOMAL ATPASE MPA IN APO FORM
Descriptor:Proteasome-associated ATPase
Authors:Li, H., Hu, K., Yang, S., Bai, L.
Deposit date:2016-07-25
Release date:2017-05-17
Last modified:2017-09-20
Method:X-RAY DIFFRACTION (3.49 Å)
Cite:Mycobacterium tuberculosis proteasomal ATPase Mpa has a beta-grasp domain that hinders docking with the proteasome core protease.
Mol. Microbiol., 105, 2017
5U8S
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STRUCTURE OF EUKARYOTIC CMG HELICASE AT A REPLICATION FORK
Descriptor:DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, DNA replication complex GINS protein PSF3, ...
Authors:Li, H., Li, B., Georgescu, R., Yuan, Z., Santos, R., Sun, J., Zhang, D., Yurieva, O., O'Donnell, M.E.
Deposit date:2016-12-14
Release date:2017-01-25
Last modified:2018-10-03
Method:ELECTRON MICROSCOPY (6.101 Å)
Cite:Structure of eukaryotic CMG helicase at a replication fork and implications to replisome architecture and origin initiation.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
3N2R
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3R,4R/3S,4S)-4-(3-PHENOXYPHENOXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, PROTOPORPHYRIN IX CONTAINING FE, 5,6,7,8-TETRAHYDROBIOPTERIN, ...
Authors:Li, H., Poulos, T.L.
Deposit date:2010-05-18
Release date:2010-08-18
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structure-based design, synthesis, and biological evaluation of lipophilic-tailed monocationic inhibitors of neuronal nitric oxide synthase.
Bioorg.Med.Chem., 18, 2010
3NLK
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE R349A MUTANT HEME DOMAIN IN COMPLEX WITH 6-{{(3'S,4'S)-3'-[2"-(3'''-FLUOROPHENETHYLAMINO)ETHOXY]PYRROLIDIN-4'-YL}METHYL}-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-06-21
Release date:2010-11-03
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.02 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
3NLM
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-{{(3'R,4'R)-3'-[2"-(3'''-FLUOROPHENETHYLAMINO)ETHOXY]PYRROLIDIN-4'-YL}METHYL}-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-06-21
Release date:2010-11-03
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (1.85 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
3NLN
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE R349A MUTANT HEME DOMAIN IN COMPLEX WITH 6-{{(3'R,4'S)-3'-[2"-(3'''-FLUOROPHENETHYLAMINO)ETHOXY]PYRROLIDIN-4'-YL}METHYL}-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-06-21
Release date:2010-11-03
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2 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
3NLO
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE R349A MUTANT HEME DOMAIN IN COMPLEX WITH 6-{{(3'S,4'R)-3'-[2"-(3'''-FLUOROPHENETHYLAMINO)ETHOXY]PYRROLIDIN-4'-YL}METHYL}-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-06-21
Release date:2010-11-03
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.3 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
3NLP
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE D597N/M336V MUTANT HEME DOMAIN IN COMPLEX WITH 6-{{(3'S,4'S)-3'-[2"-(3'''-FLUOROPHENETHYLAMINO)ETHOXY]PYRROLIDIN-4'-YL}METHYL}-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-06-21
Release date:2010-11-03
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.02 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
3NLQ
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE D597N/M336V MUTANT HEME DOMAIN IN COMPLEX WITH 6-{{(3'R,4'R)-3'-[2"-(3'''-FLUOROPHENETHYLAMINO)ETHOXY]PYRROLIDIN-4'-YL}METHYL}-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-06-21
Release date:2010-11-03
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.15 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
3NLR
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STRUCTURE OF NEURONAL NITRIC OXIDE SYNTHASE D597N/M336V MUTANT HEME DOMAIN IN COMPLEX WITH 6-{{(3'R,4'S)-3'-[2"-(3'''-FLUOROPHENETHYLAMINO)ETHOXY]PYRROLIDIN-4'-YL}METHYL}-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S.L., Poulos, T.L.
Deposit date:2010-06-21
Release date:2010-11-03
Last modified:2019-07-17
Method:X-RAY DIFFRACTION (2.1 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
3PNE
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3R,4R)-4-(2-((2,2-DIFLUORO-2-(3-CHLOROPHENYL)ETHYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S., Poulos, T.L.
Deposit date:2010-11-18
Release date:2011-11-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.97 Å)
Cite:Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase.
J.Med.Chem., 54, 2011
3PNF
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STRUCTURE OF RAT NEURONAL NITRIC OXIDE SYNTHASE HEME DOMAIN IN COMPLEX WITH 6-(((3R,4R)-4-(2-((2,2-DIFLUORO-2-(2-CHLOROPHENYL)ETHYL)AMINO)ETHOXY)PYRROLIDIN-3-YL)METHYL)-4-METHYLPYRIDIN-2-AMINE
Descriptor:Nitric oxide synthase, brain, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Li, H., Delker, S., Poulos, T.L.
Deposit date:2010-11-18
Release date:2011-11-02
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Improved synthesis of chiral pyrrolidine inhibitors and their binding properties to neuronal nitric oxide synthase.
J.Med.Chem., 54, 2011