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7F7K
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BU of 7f7k by Molmil
Crystal structure of AKR4C17 bound with NADP+
Descriptor: AKR4-2, COBALT (II) ION, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T.
Deposit date:2021-06-30
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.36 Å)
Cite:Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
6JIT
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BU of 6jit by Molmil
Complex structure of an imine reductase at 2.05 Angstrom resolution
Descriptor: 1-(2-phenylethyl)-3,4-dihydroisoquinoline, 6-phosphogluconate dehydrogenase NAD-binding protein, CHLORIDE ION, ...
Authors:Li, H, Wu, L, Zheng, G.W, Zhou, J.H.
Deposit date:2019-02-23
Release date:2020-02-26
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Complex structure of an imine reductase at 2.05 Angstrom resolution
To Be Published
6JIZ
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BU of 6jiz by Molmil
Apo structure of an imine reductase at 1.76 Angstrom resolution
Descriptor: 1,2-ETHANEDIOL, 3-ethylheptane, 6-phosphogluconate dehydrogenase NAD-binding protein, ...
Authors:Li, H, Wu, L, Zheng, G.W, Zhou, J.H.
Deposit date:2019-02-24
Release date:2020-02-26
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.763 Å)
Cite:Apo structure of an imine reductase at 1.76 Angstrom resolution
To Be Published
6LJG
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BU of 6ljg by Molmil
Crassostrea gigas ferritin mutant-D119G
Descriptor: FE (III) ION, Ferritin
Authors:Li, H, Zang, J, Tan, X, Wang, Z, Du, M.
Deposit date:2019-12-15
Release date:2020-12-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (1.799 Å)
Cite:Crassostrea gigas ferritin mutant-D119G
To Be Published
6LIJ
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BU of 6lij by Molmil
Crassostrea gigas ferritin
Descriptor: Ferritin, MAGNESIUM ION
Authors:Li, H, Zang, J, Tan, X, Wang, Z, Du, M.
Deposit date:2019-12-11
Release date:2020-12-16
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Crassostrea gigas ferritin
To Be Published
6JAT
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BU of 6jat by Molmil
Crystal structure of SETD3 bound to Actin peptide and SFG
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Actin, gamma-enteric smooth muscle, ...
Authors:Li, H, Zheng, Y.
Deposit date:2019-01-25
Release date:2020-01-29
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.713 Å)
Cite:Crystal structure of SETD3 bound to Actin peptide and SFG
to be published
7W1X
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BU of 7w1x by Molmil
Crystal structure of AKR4C16 bound with NADPH
Descriptor: AKR4-1, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T.
Deposit date:2021-11-21
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
7W1W
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BU of 7w1w by Molmil
NADPH-bound AKR4C17 mutant F291D
Descriptor: AKR4-2, NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Li, H, Yang, Y, Hu, Y, Chen, C.-C, Huang, J.-W, Min, J, Dai, L, Guo, R.-T.
Deposit date:2021-11-21
Release date:2022-07-06
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Structural analysis and engineering of aldo-keto reductase from glyphosate-resistant Echinochloa colona
J Hazard Mater, 436, 2022
4V3V
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BU of 4v3v by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with N-(2-(1H-imidazol-1-yl)-4-pyrimidylmethyl)-3-(3- fluorophenyl)propan-1-amine
Descriptor: 3-(3-fluorophenyl)-N-{[2-(1H-imidazol-1-yl)pyrimidin-4-yl]methyl}propan-1-amine, 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-10-20
Release date:2014-12-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
4EUX
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BU of 4eux by Molmil
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: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2012-04-25
Release date:2012-07-11
Last modified:2023-09-13
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
4V3Z
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BU of 4v3z by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)-N-(2-(3- fluorophenyl)cyclopropylmethyl)ethan-1-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, N-{[(1R,2R)-2-(3-fluorophenyl)cyclopropyl]methyl}-2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethanamine, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2014-10-20
Release date:2014-12-24
Last modified:2024-05-08
Method:X-RAY DIFFRACTION (2.052 Å)
Cite:Novel 2,4-Disubstituted Pyrimidines as Potent, Selective, and Cell-Permeable Inhibitors of Neuronal Nitric Oxide Synthase.
J.Med.Chem., 58, 2015
3SVQ
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BU of 3svq by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(2,3-difluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(2,3-difluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-07-12
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.18 Å)
Cite:Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011
3SVP
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BU of 3svp by Molmil
Structure of rat neuronal nitric oxide synthase heme domain in complex with 6-(((3R,4R)-4-(2-((2,2-Difluoro-2-(3-chloro-5-fluorophenyl)ethyl)amino)ethoxy)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, 6-{[(3R,4R)-4-(2-{[2-(3-chloro-5-fluorophenyl)-2,2-difluoroethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine, ACETATE ION, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2011-07-12
Release date:2011-09-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:Improved Synthesis of Chiral Pyrrolidine Inhibitors and Their Binding Properties to Neuronal Nitric Oxide Synthase.
J.Med.Chem., 54, 2011
5JLE
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BU of 5jle by Molmil
Crystal structure of SETD2 bound to SAH
Descriptor: Histone-lysine N-methyltransferase SETD2, S-ADENOSYL-L-HOMOCYSTEINE, ZINC ION
Authors:Li, H, Yang, S, Zheng, X.
Deposit date:2016-04-27
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase
Genes Dev., 30, 2016
5JLB
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BU of 5jlb by Molmil
Crystal structure of SETD2 bound to histone H3.3 K36I peptide
Descriptor: GLYCEROL, Histone H3.3, Histone-lysine N-methyltransferase SETD2, ...
Authors:Li, H, Yang, S.
Deposit date:2016-04-26
Release date:2016-11-02
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Molecular basis for oncohistone H3 recognition by SETD2 methyltransferase
Genes Dev., 30, 2016
5B79
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BU of 5b79 by Molmil
Crystal structure of DPF2 double PHD finger
Descriptor: ZINC ION, Zinc finger protein ubi-d4
Authors:Li, H, Xiong, X.
Deposit date:2016-06-05
Release date:2016-10-26
Last modified:2023-11-08
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
3JT9
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BU of 3jt9 by Molmil
Structure of neuronal nitric oxide synthase heme domain in the ferrous state complexed with N~5~-[2-(ethylsulfanyl)ethanimidoyl]-L-ornithine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2009-09-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.1 Å)
Cite:Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132, 2010
3JC5
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BU of 3jc5 by Molmil
Structure of the eukaryotic replicative CMG helicase and pumpjack motion
Descriptor: Cell division control protein 45, DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, ...
Authors:Li, H, Bai, L, Yuan, Z, Sun, J, Georgescu, R.E, Liu, J, O'Donnell, M.E.
Deposit date:2015-11-24
Release date:2016-02-10
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (4.7 Å)
Cite:Structure of the eukaryotic replicative CMG helicase suggests a pumpjack motion for translocation.
Nat.Struct.Mol.Biol., 23, 2016
3JT6
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BU of 3jt6 by Molmil
Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[4-(methylsulfanyl)butanimidoyl]-L-ornithine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2009-09-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132, 2010
3JC6
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BU of 3jc6 by Molmil
Structure of the eukaryotic replicative CMG helicase and pumpjack motion
Descriptor: Cell division control protein 45, DNA replication complex GINS protein PSF1, DNA replication complex GINS protein PSF2, ...
Authors:Li, H, Bai, L, Yuan, Z, Sun, J, Georgescu, R.E, Liu, J, O'Donnell, M.E.
Deposit date:2015-11-24
Release date:2016-02-10
Last modified:2018-07-18
Method:ELECTRON MICROSCOPY (3.7 Å)
Cite:Structure of the eukaryotic replicative CMG helicase suggests a pumpjack motion for translocation.
Nat.Struct.Mol.Biol., 23, 2016
3JT3
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BU of 3jt3 by Molmil
Structure of neuronal nitric oxide synthase heme domain complexed with N~5~-[2-(methylsulfanyl)ethanimidoyl]-L-ornithine
Descriptor: 5,6,7,8-TETRAHYDROBIOPTERIN, ACETATE ION, Nitric oxide synthase, ...
Authors:Li, H, Poulos, T.L.
Deposit date:2009-09-11
Release date:2010-01-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.15 Å)
Cite:Heme-coordinating inhibitors of neuronal nitric oxide synthase. Iron-thioether coordination is stabilized by hydrophobic contacts without increased inhibitor potency.
J.Am.Chem.Soc., 132, 2010
5C13
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BU of 5c13 by Molmil
Crystal Structure of TAF3 PHD finger bound to histone H3C4me3 peptide
Descriptor: H3 peptide, Transcription initiation factor TFIID subunit 3, ZINC ION
Authors:Li, H, Huang, J.
Deposit date:2015-06-12
Release date:2015-11-25
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (2.101 Å)
Cite:Crystal Structure of Jarid1a PHD finger bound to histone H3C4me3 peptide
Nat Commun, 2015
5CP4
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BU of 5cp4 by Molmil
CRYOGENIC STRUCTURE OF P450CAM
Descriptor: CAMPHOR, CYTOCHROME P450CAM, GLYCEROL, ...
Authors:Li, H, Poulos, T.L.
Deposit date:1998-05-28
Release date:1998-09-16
Last modified:2024-05-22
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Understanding the role of the essential Asp251 in cytochrome p450cam using site-directed mutagenesis, crystallography, and kinetic solvent isotope effect.
Biochemistry, 37, 1998
6WZW
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BU of 6wzw by Molmil
Ash1L SET domain in complex with AS-85
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, Histone-lysine N-methyltransferase ASH1L, N-{[3-(3-carbamothioylphenyl)-1-{1-[(trifluoromethyl)sulfonyl]piperidin-4-yl}-1H-indol-6-yl]methyl}azetidine-3-carboxamide, ...
Authors:Li, H, Deng, J, Cierpicki, T, Grembecka, J.
Deposit date:2020-05-14
Release date:2021-04-07
Last modified:2023-10-18
Method:X-RAY DIFFRACTION (1.69 Å)
Cite:Discovery of first-in-class inhibitors of ASH1L histone methyltransferase with anti-leukemic activity.
Nat Commun, 12, 2021
5B73
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BU of 5b73 by Molmil
Crystal structure of human ZMYND8 PHD-Bromo-PWWP domain
Descriptor: Protein kinase C-binding protein 1, ZINC ION
Authors:Li, H, Li, Y, Zheng, X.
Deposit date:2016-06-03
Release date:2016-11-02
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:ZMYND8 Reads the Dual Histone Mark H3K4me1-H3K14ac to Antagonize the Expression of Metastasis-Linked Genes
Mol.Cell, 63, 2016

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