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6CW1
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BU of 6cw1 by Molmil
Crystal structure of Neurexin-1 alpha ectodomain fragment, L2-L3
Descriptor: Neurexin-1
Authors:Misra, A, Rudenko, G.
Deposit date:2018-03-29
Release date:2018-09-19
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.84 Å)
Cite:Structural Plasticity of Neurexin 1 alpha : Implications for its Role as Synaptic Organizer.
J. Mol. Biol., 430, 2018
3R1B
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BU of 3r1b by Molmil
Open crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
Descriptor: (4-tert-butylphenyl)acetaldehyde, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
Deposit date:2011-03-09
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3 Å)
Cite:Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
3R1A
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BU of 3r1a by Molmil
Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene
Descriptor: (4-tert-butylphenyl)acetaldehyde, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Zhang, H, Stout, C.D, Hollenberg, P.F, Halpert, J.R.
Deposit date:2011-03-09
Release date:2011-05-11
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (3.5 Å)
Cite:Structural Analysis of Mammalian Cytochrome P450 2B4 Covalently Bound to the Mechanism-Based Inactivator tert-Butylphenylacetylene: Insight into Partial Enzymatic Activity.
Biochemistry, 50, 2011
3G5N
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BU of 3g5n by Molmil
Triple ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole
Descriptor: 1-(biphenyl-4-ylmethyl)-1H-imidazole, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D.
Deposit date:2009-02-05
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning.
Biochemistry, 48, 2009
3G93
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BU of 3g93 by Molmil
Single ligand occupancy crystal structure of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole
Descriptor: 1-(biphenyl-4-ylmethyl)-1H-imidazole, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Sun, L, Maekawa, K, Halpert, J.R, Stout, C.D.
Deposit date:2009-02-12
Release date:2009-05-12
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Crystal structures of cytochrome P450 2B4 in complex with the inhibitor 1-biphenyl-4-methyl-1H-imidazole: ligand-induced structural response through alpha-helical repositioning.
Biochemistry, 48, 2009
3TK3
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BU of 3tk3 by Molmil
Cytochrome P450 2B4 mutant L437A in complex with 4-(4-chlorophenyl)imidazole
Descriptor: 4-(4-CHLOROPHENYL)IMIDAZOLE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Jang, H.H, Wilderman, P.R, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2011-08-25
Release date:2011-11-16
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.8001 Å)
Cite:Investigation by site-directed mutagenesis of the role of cytochrome P450 2B4 non-active-site residues in protein-ligand interactions based on crystal structures of the ligand-bound enzyme.
Febs J., 279, 2012
8S95
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BU of 8s95 by Molmil
Crystal Structure of Poliovirus (type 1 Mahoney) cloverleaf RNA with tRNA scaffold
Descriptor: Lysine tRNA scaffold,Poliovirus cloverleaf RNA
Authors:McNeme, S.C, Choi, K.H.
Deposit date:2023-03-27
Release date:2023-08-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structural basis for cloverleaf RNA-initiated viral genome replication.
Nucleic Acids Res., 51, 2023
8SP9
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BU of 8sp9 by Molmil
Crystal Structure of Coxsackievirus B3 (CVB3) Cloverleaf RNA with tRNA scaffold
Descriptor: tRNA scaffold,CVB3 Cloverleaf RNA
Authors:Gottipati, K, McNeme, S.C, Choi, K.H.
Deposit date:2023-05-02
Release date:2023-08-09
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.92 Å)
Cite:Structural basis for cloverleaf RNA-initiated viral genome replication.
Nucleic Acids Res., 51, 2023
3UAS
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BU of 3uas by Molmil
Cytochrome P450 2B4 covalently bound to the mechanism-based inactivator 9-ethynylphenanthrene
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE, ...
Authors:Gay, S.C, Zhang, H, Shah, M.B, Stout, C.D, Halpert, J.R, Hollenberg, P.F.
Deposit date:2011-10-21
Release date:2013-01-09
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2.939 Å)
Cite:Potent Mechanism-Based Inactivation of Cytochrome P450 2B4 by 9-Ethynylphenanthrene: Implications for Allosteric Modulation of Cytochrome P450 Catalysis.
Biochemistry, 52, 2013
5GTU
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BU of 5gtu by Molmil
Structural and mechanistic insights into regulation of the retromer coat by TBC1d5
Descriptor: TBC1 domain family member 5, Vacuolar protein sorting-associated protein 29
Authors:Jia, D, Rosen, M.
Deposit date:2016-08-23
Release date:2016-12-07
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Structural and mechanistic insights into regulation of the retromer coat by TBC1d5
Nat Commun, 7, 2016
3ME6
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BU of 3me6 by Molmil
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug clopidogrel
Descriptor: Clopidogrel, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Gay, S.C, Roberts, A.G, Maekawa, K, Talakad, J.C, Hong, W.X, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2010-03-31
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
3MVR
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BU of 3mvr by Molmil
Crystal Structure of cytochrome P450 2B4-H226Y in a closed conformation
Descriptor: 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, PROTOPORPHYRIN IX CONTAINING FE
Authors:Shah, M.B, Stout, C.D, Halpert, J.R.
Deposit date:2010-05-04
Release date:2010-09-29
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.76 Å)
Cite:Plasticity of Cytochrome P450 2B4 as Investigated by Hydrogen-Deuterium Exchange Mass Spectrometry and X-ray Crystallography.
J.Biol.Chem., 285, 2010
3KW4
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BU of 3kw4 by Molmil
Crystal structure of cytochrome 2B4 in complex with the anti-platelet drug ticlopidine
Descriptor: 2-{[(3alpha,5alpha,7alpha,8alpha,10alpha,12alpha,17alpha)-3,12-bis{2-[(4-O-alpha-D-glucopyranosyl-beta-D-glucopyranosyl)oxy]ethoxy}cholan-7-yl]oxy}ethyl 4-O-alpha-D-glucopyranosyl-beta-D-glucopyranoside, 5-CYCLOHEXYL-1-PENTYL-BETA-D-MALTOSIDE, Cytochrome P450 2B4, ...
Authors:Gay, S.C, Maekawa, K, Roberts, A.G, Hong, W.-X, Zhang, Q, Stout, C.D, Halpert, J.R.
Deposit date:2009-11-30
Release date:2010-09-15
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.67 Å)
Cite:Structures of cytochrome P450 2B4 complexed with the antiplatelet drugs ticlopidine and clopidogrel.
Biochemistry, 49, 2010
4I1T
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BU of 4i1t by Molmil
Crystal structure of the cap-snatching endonuclease from Pichinde virus
Descriptor: RNA-directed RNA polymerase L
Authors:Bussetta, C, Choi, K.H.
Deposit date:2012-11-21
Release date:2014-02-26
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structure of the cap-snatching endonuclease from Pichinde virus, a new world arenavirus
To be Published
1D0W
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BU of 1d0w by Molmil
SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-I OF NEUROPEPTIDE Y
Descriptor: C-TERMINAL ANALOGUE OF NEUROPEPTIDE Y, A POTENT Y2 RECEPTOR AGONIST
Authors:Yao, S, Norton, R.S.
Deposit date:1999-09-14
Release date:2000-06-16
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Stabilization of the helical structure of Y2-selective analogues of neuropeptide Y by lactam bridges.
J.Med.Chem., 45, 2002
1D1F
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BU of 1d1f by Molmil
SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-III OF NEUROPEPTIDE Y
Descriptor: C-TERMINAL ANALOGUE OF NEUROPEPTIDE Y, A POTENT Y2 RECEPTOR AGONIST
Authors:Yao, S, Norton, R.S.
Deposit date:1999-09-15
Release date:2000-06-16
Last modified:2018-01-24
Method:SOLUTION NMR
Cite:Stabilization of the helical structure of Y2-selective analogues of neuropeptide Y by lactam bridges.
J.Med.Chem., 45, 2002
6VG5
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BU of 6vg5 by Molmil
DengueV-2 Capsid ST148 inhibitor Complex
Descriptor: 3-amino-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide, Capsid premembrane protein, GLYCEROL, ...
Authors:White, M, Xia, H, Shi, P.
Deposit date:2020-01-07
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
1D1E
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BU of 1d1e by Molmil
SOLUTION STRUCTURE OF LACTAM-BRIDGED C-TERMINAL ANALOGUE-II OF NEUROPEPTIDE Y
Descriptor: C-TERMINAL ANALOGUE OF NEUROPEPTIDE Y, A POTENT Y2 RECEPTOR AGONIST
Authors:Yao, S, Norton, R.S.
Deposit date:1999-09-15
Release date:2000-06-17
Last modified:2022-02-16
Method:SOLUTION NMR
Cite:Stabilization of the helical structure of Y2-selective analogues of neuropeptide Y by lactam bridges.
J.Med.Chem., 45, 2002
6VSO
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BU of 6vso by Molmil
DengueV-2 Capsid Structure
Descriptor: Capsid premembrane protein, GLYCEROL, NITRATE ION
Authors:White, M, Xia, H, Shi, P.
Deposit date:2020-02-11
Release date:2020-07-15
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (3.001 Å)
Cite:A cocrystal structure of dengue capsid protein in complex of inhibitor.
Proc.Natl.Acad.Sci.USA, 117, 2020
3SLK
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BU of 3slk by Molmil
Structure of ketoreductase and enoylreductase didomain from modular polyketide synthase
Descriptor: NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, Polyketide synthase extender module 2, SULFATE ION
Authors:Zheng, J, Gay, D.C, Keatinge-Clay, A.T.
Deposit date:2011-06-24
Release date:2012-05-30
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (3 Å)
Cite:Divergence of multimodular polyketide synthases revealed by a didomain structure.
Nat.Chem.Biol., 8, 2012
1ONS
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BU of 1ons by Molmil
Crystal structure of Escherichia coli heat shock protein YedU
Descriptor: Chaperone protein hchA, ZINC ION
Authors:Zhao, Y, Fox, R.O.
Deposit date:2003-02-28
Release date:2004-01-20
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:The crystal structure of Escherichia coli heat shock protein YedU reveals three potential catalytic active sites
Protein Sci., 12, 2003
5T4I
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BU of 5t4i by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
Descriptor: DNA (5'-D(*GP*CP*AP*CP*GP*TP*CP*AP*G)-3'), DNA (5'-D(P*CP*TP*GP*AP*CP*GP*TP*GP*C)-3'), MANGANESE (II) ION, ...
Authors:Szymanski, M.R, Yin, W.Y.
Deposit date:2016-08-29
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.389 Å)
Cite:A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5T5C
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BU of 5t5c by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
Descriptor: DNA (5'-D(P*CP*TP*GP*AP*CP*GP*TP*GP*C)-3'), DNA (5'-D(P*GP*CP*AP*CP*GP*TP*CP*AP*G)-3'), MAGNESIUM ION, ...
Authors:Szymanski, M.R, Yin, W.Y.
Deposit date:2016-08-30
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.851 Å)
Cite:A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5T40
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BU of 5t40 by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
Descriptor: MAGNESIUM ION, Nuclease EXOG, mitochondrial, ...
Authors:Szymanski, M.R, Yin, W.Y.
Deposit date:2016-08-27
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (1.81 Å)
Cite:A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017
5T3V
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BU of 5t3v by Molmil
A Novel domain in human EXOG converts apoptotic endonuclease to DNA-repair enzyme
Descriptor: MANGANESE (II) ION, Nuclease EXOG, mitochondrial, ...
Authors:Szymanski, M.R, Yin, W.Y.
Deposit date:2016-08-26
Release date:2017-05-17
Last modified:2023-10-04
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:A domain in human EXOG converts apoptotic endonuclease to DNA-repair exonuclease.
Nat Commun, 8, 2017

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