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4WNT
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BU of 4wnt by Molmil
Human Cytochrome P450 2D6 Ajmalicine Complex
Descriptor: Ajmalicine, Cytochrome P450 2D6, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4WNW
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BU of 4wnw by Molmil
Human Cytochrome P450 2D6 Thioridazine Complex
Descriptor: 10-{2-[(2R)-1-methylpiperidin-2-yl]ethyl}-2-(methylsulfanyl)-10H-phenothiazine, Cytochrome P450 2D6, NICKEL (II) ION, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (3.299 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4WNV
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BU of 4wnv by Molmil
Human Cytochrome P450 2D6 Quinine Complex
Descriptor: Cytochrome P450 2D6, GLYCEROL, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
4RAZ
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BU of 4raz by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 holo-Fur
Descriptor: 1,2-ETHANEDIOL, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
Authors:Deng, Z, Wang, Q, Chen, Z.
Deposit date:2014-09-12
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4WNU
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BU of 4wnu by Molmil
Human Cytochrome P450 2D6 Quinidine Complex
Descriptor: Cytochrome P450 2D6, DIMETHYL SULFOXIDE, GLYCEROL, ...
Authors:Wang, A, Stout, C.D, Johnson, E.F.
Deposit date:2014-10-14
Release date:2015-01-14
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (2.26 Å)
Cite:Contributions of Ionic Interactions and Protein Dynamics to Cytochrome P450 2D6 (CYP2D6) Substrate and Inhibitor Binding.
J.Biol.Chem., 290, 2015
5I9G
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BU of 5i9g by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8C2 in complex with its target RNA U8C2
Descriptor: RNA (5'-R(*GP*GP*G*GP*UP*UP*UP*UP*CP*CP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8C2
Authors:Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-02-20
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.288 Å)
Cite:Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
4RZF
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BU of 4rzf by Molmil
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, S441W mutant
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
Deposit date:2014-12-21
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.99 Å)
Cite:Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
4RZG
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BU of 4rzg by Molmil
Crystal Structure Analysis of the DNPA-bounded NUR77 Ligand binding Domain
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1, pentyl (3,5-dihydroxy-2-nonanoylphenyl)acetate
Authors:Li, F, Tian, X, Li, A, Li, L, Liu, Y, Chen, H, Wu, Q, Lin, T.
Deposit date:2014-12-21
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
5I9D
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BU of 5i9d by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8A2 in complex with its target RNA U8A2
Descriptor: RNA (5'-R(*GP*GP*GP*G*UP*UP*UP*UP*AP*AP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8A2
Authors:Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-02-20
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.596 Å)
Cite:Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
5I9F
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BU of 5i9f by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U10 in complex with its target RNA U10
Descriptor: RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*UP*UP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U10
Authors:Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, Y.
Deposit date:2016-02-20
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.194 Å)
Cite:Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
5I9H
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BU of 5i9h by Molmil
Crystal structure of designed pentatricopeptide repeat protein dPPR-U8G2 in complex with its target RNA U8G2
Descriptor: RNA (5'-R(*GP*GP*GP*GP*UP*UP*UP*UP*GP*GP*UP*UP*UP*UP*CP*CP*CP*C)-3'), pentatricopeptide repeat protein dPPR-U8G2
Authors:Shen, C, Zhang, D, Guan, Z, Zou, T, Yin, P.
Deposit date:2016-02-20
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.504 Å)
Cite:Structural basis for specific single-stranded RNA recognition by designer pentatricopeptide repeat proteins.
Nat Commun, 7, 2016
4ZHW
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BU of 4zhw by Molmil
Crystal structure of a bacterial signalling protein (N-terminal truncation)
Descriptor: YfiB
Authors:Li, S, Li, T, Wang, Y, Bartlam, M.
Deposit date:2015-04-27
Release date:2016-04-27
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.391 Å)
Cite:Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4ZHY
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BU of 4zhy by Molmil
Crystal structure of a bacterial signalling complex
Descriptor: FORMIC ACID, SULFATE ION, YfiB, ...
Authors:Li, S, Li, T, Wang, Y, Bartlam, M.
Deposit date:2015-04-27
Release date:2016-04-27
Method:X-RAY DIFFRACTION (1.969 Å)
Cite:Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4ZHV
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BU of 4zhv by Molmil
Crystal structure of a bacterial signalling protein
Descriptor: SULFATE ION, YfiB
Authors:Li, S, Li, T, Wang, Y, Bartlam, M.
Deposit date:2015-04-27
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (1.585 Å)
Cite:Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4JDA
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BU of 4jda by Molmil
Complex structure of abscisic acid receptor PYL3 with (-)-ABA
Descriptor: (2Z,4E)-5-[(1R)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-en-1-yl]-3-methylpenta-2,4-dienoic acid, Abscisic acid receptor PYL3
Authors:Zhang, X, Wang, G, Chen, Z.
Deposit date:2013-02-24
Release date:2013-07-24
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Structural Insights into the Abscisic Acid Stereospecificity by the ABA Receptors PYR/PYL/RCAR
Plos One, 8, 2013
4ZHU
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BU of 4zhu by Molmil
Crystal structure of a bacterial repressor protein
Descriptor: SULFATE ION, YfiR
Authors:Li, S, Li, T, Wang, Y, Bartlam, M.
Deposit date:2015-04-27
Release date:2016-04-27
Method:X-RAY DIFFRACTION (2.3968 Å)
Cite:Structural insights into YfiR sequestering by YfiB in Pseudomonas aeruginosa PAO1
Sci Rep, 5, 2015
4Y4R
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BU of 4y4r by Molmil
Crystal structure of ribosomal oxygenase NO66 dimer mutant
Descriptor: ACETATE ION, Bifunctional lysine-specific demethylase and histidyl-hydroxylase NO66, NICKEL (II) ION
Authors:Wang, C, Hang, T, Zang, J.
Deposit date:2015-02-11
Release date:2015-10-07
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (3.3 Å)
Cite:Structure of the JmjC domain-containing protein NO66 complexed with ribosomal protein Rpl8.
Acta Crystallogr.,Sect.D, 71, 2015
4RB3
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BU of 4rb3 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Fur-Mn2+-feoAB1 operator
Descriptor: DNA (25-MER), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION, ...
Authors:Deng, Z, Chen, Z.
Deposit date:2014-09-12
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4RB2
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BU of 4rb2 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 SeMet-Fur-Mn2+-feoAB1 operator
Descriptor: DNA (25-MER), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
Authors:Deng, Z, Chen, Z.
Deposit date:2014-09-12
Release date:2015-07-15
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.82 Å)
Cite:Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4RB0
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BU of 4rb0 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 SeMet-Apo-Fur
Descriptor: CITRATE ANION, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), SULFATE ION
Authors:Deng, Z, Chen, Z.
Deposit date:2014-09-12
Release date:2015-07-15
Method:X-RAY DIFFRACTION (1.85 Å)
Cite:Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4RB1
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BU of 4rb1 by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Fur-Mn2+-E. coli Fur box
Descriptor: DNA (5'-D(*CP*GP*CP*GP*AP*TP*AP*AP*TP*GP*AP*TP*AP*AP*TP*CP*AP*TP*TP*AP*TP*CP*CP*GP*C)-3'), DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), MANGANESE (II) ION
Authors:Deng, Z, Chen, Z.
Deposit date:2014-09-12
Release date:2015-07-15
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.75 Å)
Cite:Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
4RZE
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BU of 4rze by Molmil
Crystal Structure Analysis of the NUR77 Ligand Binding Domain, L437W,D594E mutant
Descriptor: GLYCEROL, Nuclear receptor subfamily 4 group A member 1
Authors:Fengwei, L, Xuyang, T, Anzhong, L, Li, L, Yuan, L, Hangzi, C, Qiao, W, Tianwei, L.
Deposit date:2014-12-21
Release date:2015-03-18
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.49 Å)
Cite:Impeding the interaction between Nur77 and p38 reduces LPS-induced inflammation.
Nat.Chem.Biol., 11, 2015
4RAY
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BU of 4ray by Molmil
Crystal structure of Magnetospirillum gryphiswaldense MSR-1 Apo-Fur
Descriptor: CITRATE ANION, DNA-binding transcriptional dual regulator of siderophore biosynthesis and transport(Fur family), SULFATE ION
Authors:Deng, Z, Liu, Z, Chen, Z.
Deposit date:2014-09-12
Release date:2015-07-15
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.55 Å)
Cite:Mechanistic insights into metal ion activation and operator recognition by the ferric uptake regulator.
Nat Commun, 6
5XVA
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BU of 5xva by Molmil
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
5XVG
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BU of 5xvg by Molmil
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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