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3IA2
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BU of 3ia2 by Molmil
Pseudomonas fluorescens esterase complexed to the R-enantiomer of a sulfonate transition state analog
Descriptor: (2R)-butane-2-sulfonate, Arylesterase, GLYCEROL, ...
Authors:Schrag, J.D, Kazlauskas, R.J, Jiang, Y, Morley, K.
Deposit date:2009-07-13
Release date:2010-07-21
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.65 Å)
Cite:Different active-site loop orientation in serine hydrolases versus acyltransferases.
Chembiochem, 12, 2011
3K03
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BU of 3k03 by Molmil
Crystal Structure of CNG mimicking NaK mutant, NaK-DTPP, K+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein NaK
Authors:Jiang, Y, Derebe, M.G.
Deposit date:2009-09-24
Release date:2011-01-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:Tuning the ion selectivity of tetrameric cation channels by changing the number of ion binding sites.
Proc.Natl.Acad.Sci.USA, 108, 2011
3E86
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BU of 3e86 by Molmil
High resolution Crystal Structure of the open NaK channel pore
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CESIUM ION, ...
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:High-resolution structure of the open NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3E8F
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BU of 3e8f by Molmil
Crystal Structure of the the open NaK channel- K+/Ba2+
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, BARIUM ION, POTASSIUM ION, ...
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3E8B
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BU of 3e8b by Molmil
Crystal Structure of the the open NaK channel- Rb+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, Potassium channel protein, RUBIDIUM ION
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3E89
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BU of 3e89 by Molmil
Crystal Structure of the the open NaK channel-low Na+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CESIUM ION, Potassium channel protein, ...
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3E8G
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BU of 3e8g by Molmil
Crystal Structure of the the open NaK channel-Na+/Ca2+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, CALCIUM ION, CESIUM ION, ...
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3E8H
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BU of 3e8h by Molmil
Crystal Structure of the the open NaK channel-K+ complex
Descriptor: (4S)-2-METHYL-2,4-PENTANEDIOL, POTASSIUM ION, Potassium channel protein
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009
3E83
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BU of 3e83 by Molmil
Crystal Structure of the the open NaK channel pore
Descriptor: CESIUM ION, Potassium channel protein, SODIUM ION
Authors:Jiang, Y, Alam, A.
Deposit date:2008-08-19
Release date:2008-12-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural analysis of ion selectivity in the NaK channel
Nat.Struct.Mol.Biol., 16, 2009
4N6X
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BU of 4n6x by Molmil
Crystal Structure of the Chemokine Receptor CXCR2 in Complex with the First PDZ Domain of NHERF1
Descriptor: CHLORIDE ION, Na(+)/H(+) exchange regulatory cofactor NHE-RF1/Chemokine Receptor CXCR2 fusion protein
Authors:Lu, G, Wu, Y, Jiang, Y, Brunzelle, J, Sirinupong, N, Li, C, Yang, Z.
Deposit date:2013-10-14
Release date:2014-01-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.051 Å)
Cite:New Conformational State of NHERF1-CXCR2 Signaling Complex Captured by Crystal Lattice Trapping.
Plos One, 8, 2013
5GG4
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BU of 5gg4 by Molmil
Crystal structure of USP7 with RNF169 peptide
Descriptor: Peptide from E3 ubiquitin-protein ligase RNF169, Ubiquitin carboxyl-terminal hydrolase 7
Authors:Jiang, Y, Gong, Q.
Deposit date:2016-06-15
Release date:2017-03-22
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (3.11 Å)
Cite:Dual-utility NLS drives RNF169-dependent DNA damage responses.
Proc. Natl. Acad. Sci. U.S.A., 114, 2017
8HGC
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BU of 8hgc by Molmil
Crystal structure of the CYP199A4 mutant F182T in complex with 4-methoxybenzoic acid
Descriptor: 4-METHOXYBENZOIC ACID, ACETATE ION, Cytochrome P450, ...
Authors:Jiang, Y, Cong, Z.
Deposit date:2022-11-14
Release date:2023-08-16
Method:X-RAY DIFFRACTION (1.72 Å)
Cite:Enabling Peroxygenase Activity in Cytochrome P450 Monooxygenases by Engineering Hydrogen Peroxide Tunnels.
J.Am.Chem.Soc., 145, 2023
8HGT
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BU of 8hgt by Molmil
Crystal structure of the CYP153A mutant V456A from Marinobacter aquaeolei
Descriptor: Cytochrome P450, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Tian, X, Cong, Z.
Deposit date:2022-11-15
Release date:2023-08-16
Method:X-RAY DIFFRACTION (2.06 Å)
Cite:Enabling Peroxygenase Activity in Cytochrome P450 Monooxygenases by Engineering Hydrogen Peroxide Tunnels.
J.Am.Chem.Soc., 145, 2023
6A1K
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BU of 6a1k by Molmil
Phosphate acyltransferase PlsX from B.subtilis
Descriptor: Phosphate acyltransferase, SULFATE ION
Authors:Guo, Z, Jiang, Y.
Deposit date:2018-06-07
Release date:2019-06-12
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Identification of an amphipathic peptide sensor of the Bacillus subtilisfluid membrane microdomains.
Commun Biol, 2, 2019
8HOR
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BU of 8hor by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4CH3)-Tyr
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4CH3)-Tyr, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HOS
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BU of 8hos by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4NO2)-Tyr
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4NO2)-Tyr, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HOU
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BU of 8hou by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Im-N-C4-Phe-Phe
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-N-C4-Phe-Phe, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2024-11-06
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HOQ
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BU of 8hoq by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Phe(4CF3)-Tyr
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Phe(4CF3)-Tyr, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.94 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HOP
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BU of 8hop by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Nap-Tyr
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Nap-Tyr, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2023-12-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8HON
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BU of 8hon by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with Im-C6-Tyr-Tyr
Descriptor: Bifunctional cytochrome P450/NADPH--P450 reductase, Im-C6-Tyr-Tyr, PROTOPORPHYRIN IX CONTAINING FE
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2022-12-10
Release date:2023-12-13
Last modified:2024-11-13
Method:X-RAY DIFFRACTION (2.01 Å)
Cite:Anchoring a Structurally Editable Proximal Cofactor-like Module to Construct an Artificial Dual-center Peroxygenase.
Angew.Chem.Int.Ed.Engl., 62, 2023
8JC3
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BU of 8jc3 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-N-C4-Phe and hydroxylamine
Descriptor: 4-(pyridin-4-ylamino)butanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2023-05-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (1.82 Å)
Cite:C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
8JC4
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BU of 8jc4 by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A-T268V in complex with Pyd-Pid-Phe and hydroxylamine
Descriptor: 1-pyridin-4-ylpiperidine-4-carboxylic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2023-05-10
Release date:2023-12-27
Method:X-RAY DIFFRACTION (2.64 Å)
Cite:C(sp3)-H hydroxylation of Broad-Spectrum Alkanes Catalyzed by an Artificial P450 Peroxygenase Driven by omega-Pyridyl Fatty Acyl Amino Acids.
Mol Catal, 550, 2023
8WS4
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BU of 8ws4 by Molmil
Crystal structure of the CYP199A4 mutant F182A in complex with 4-methoxybenzoic acid
Descriptor: 4-METHOXYBENZOIC ACID, ACETATE ION, Cytochrome P450, ...
Authors:Jiang, Y, Cong, Z.
Deposit date:2023-10-16
Release date:2024-10-16
Method:X-RAY DIFFRACTION (1.53 Å)
Cite:Crucial gating residues govern the enhancement of peroxygenase activity in an engineered cytochrome P450 O -demethylase.
Chem Sci, 15, 2024
7EGN
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BU of 7egn by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, GLYCEROL, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-03-24
Release date:2021-08-18
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:H-Bonding Networks Dictate the Molecular Mechanism of H2O2 Activation by P450
Acs Catalysis, 11, 2021
7WDH
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BU of 7wdh by Molmil
Crystal structure of the P450 BM3 heme domain mutant F87A in complex with N-imidazolyl-hexanoyl-L-phenylalanine, phenol and hydroxylamine
Descriptor: (2S)-2-(6-imidazol-1-ylhexanoylamino)-3-phenyl-propanoic acid, Bifunctional cytochrome P450/NADPH--P450 reductase, HYDROXYAMINE, ...
Authors:Jiang, Y, Dong, S, Feng, Y, Cong, Z.
Deposit date:2021-12-21
Release date:2022-12-28
Last modified:2023-11-29
Method:X-RAY DIFFRACTION (1.68 Å)
Cite:Engineering Cytochrome P450BM3 Enzymes for Direct Nitration of Unsaturated Hydrocarbons.
Angew.Chem.Int.Ed.Engl., 62, 2023

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