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3O8V
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Crystal Structure of the Tudor Domains from FXR1
Descriptor: Fragile X mental retardation syndrome-related protein 1
Authors:Lam, R, Guo, Y.H, Adams-Cioaba, M, Bian, C.B, Mackenzie, F, Bountra, C, Weigelt, J, Arrowsmith, C.H, Edwards, A.M, Bochkarev, A, Min, J, Structural Genomics Consortium (SGC)
Deposit date:2010-08-03
Release date:2010-08-18
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural Studies of the Tandem Tudor Domains of Fragile X Mental Retardation Related Proteins FXR1 and FXR2.
Plos One, 5, 2010
3OD4
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Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor
Descriptor: 8-hydroxyquinoline-5-carboxylic acid, GLYCEROL, Hypoxia-inducible factor 1-alpha inhibitor, ...
Authors:King, O.N.F, Bashford-Rogers, R, Maloney, D.J, Jadhav, A, Heightman, T.D, Simeonov, A, Clifton, I.J, McDonough, M.A, Schofield, C.J.
Deposit date:2010-08-10
Release date:2011-07-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Factor Inhibiting HIF-1 Alpha Complexed with Inhibitor
To be Published
3M09
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BU of 3m09 by Molmil
F98Y TMP-resistant Dihydrofolate Reductase from Staphylococcus aureus with inhibitor RAB1
Descriptor: 5-(3,4-dimethoxy-5-{(1E)-3-oxo-3-[(1S)-1-propylphthalazin-2(1H)-yl]prop-1-en-1-yl}benzyl)pyrimidine-2,4-diamine, Dihydrofolate reductase, GLYCEROL, ...
Authors:Bourne, C.R, Barrow, W.W.
Deposit date:2010-03-02
Release date:2010-07-14
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.009 Å)
Cite:Inhibition of Antibiotic-Resistant Staphylococcus aureus by the Broad-Spectrum Dihydrofolate Reductase Inhibitor RAB1.
Antimicrob.Agents Chemother., 54, 2010
3M88
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Crystal structure of the cysteine protease inhibitor, EhICP2, from Entamoeba histolytica
Descriptor: Amoebiasin-2, CHLORIDE ION, SULFATE ION
Authors:Lara-Gonzalez, S, Casados-Vazquez, L.E, Brieba, L.G.
Deposit date:2010-03-17
Release date:2011-02-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structure of the cysteine protease inhibitor 2 from Entamoeba histolytica: functional convergence of a common protein fold.
Gene, 471, 2011
3M92
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The structure of yciN, an unchracterized protein from Shigella flexneri.
Descriptor: CHLORIDE ION, Protein yciN, SODIUM ION
Authors:Cuff, M.E, Xu, X, Cui, H, Chin, S, Savchenko, A, Edwards, A, Joachimiak, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2010-03-19
Release date:2010-05-19
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.05 Å)
Cite:The structure of yciN, an unchracterized protein from Shigella flexneri.
TO BE PUBLISHED
3MCR
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Crystal structure of NADH dehydrogenase subunit C (Tfu_2693) from THERMOBIFIDA FUSCA YX-ER1 at 2.65 A resolution
Descriptor: COBALT (II) ION, HEXANE-1,6-DIOL, NADH dehydrogenase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-03-29
Release date:2010-05-12
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.65 Å)
Cite:Crystal structure of NADH dehydrogenase subunit C (Tfu_2693) from THERMOBIFIDA FUSCA YX-ER1 at 2.65 A resolution
To be published
3MDJ
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BU of 3mdj by Molmil
ER Aminopeptidase, ERAP1, Bound to the Zinc Aminopeptidase Inhibitor, Bestatin
Descriptor: 2-(3-AMINO-2-HYDROXY-4-PHENYL-BUTYRYLAMINO)-4-METHYL-PENTANOIC ACID, 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, ...
Authors:Nguyen, T.T, Stern, L.J.
Deposit date:2010-03-30
Release date:2011-03-30
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structural basis for antigenic peptide precursor processing by the endoplasmic reticulum aminopeptidase ERAP1.
Nat.Struct.Mol.Biol., 18, 2011
3MFG
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BU of 3mfg by Molmil
Crystal structure of Toxic Shock Syndrome Toxin 1 (TSST-1) in complex with the human T cell receptor beta chain Vbeta2.1 (EP-8)
Descriptor: GLYCEROL, SULFATE ION, Toxic shock syndrome toxin-1, ...
Authors:Bonsor, D.A, Sundberg, E.J.
Deposit date:2010-04-02
Release date:2010-11-24
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Crystal structure of Toxic Shock Syndrome Toxin 1 (TSST-1) in complex with the human T cell receptor beta chain Vbeta2.1 (EP-8)
To be Published
3M71
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Crystal Structure of Plant SLAC1 homolog TehA
Descriptor: Tellurite resistance protein tehA homolog, octyl beta-D-glucopyranoside
Authors:Chen, Y.-H, Hu, L, Punta, M, Bruni, R, Hillerich, B, Kloss, B, Rost, B, Love, J, Siegelbaum, S.A, Hendrickson, W.A, New York Consortium on Membrane Protein Structure (NYCOMPS)
Deposit date:2010-03-16
Release date:2010-05-12
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:Homologue structure of the SLAC1 anion channel for closing stomata in leaves.
Nature, 467, 2010
3NI2
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Crystal structures and enzymatic mechanisms of a Populus tomentosa 4-coumarate:CoA ligase
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, 4-coumarate:CoA ligase, 5'-O-{(S)-hydroxy[3-(4-hydroxyphenyl)propoxy]phosphoryl}adenosine
Authors:Hu, Y, Yin, L, Gai, Y, Wang, X.X, Wang, D.C.
Deposit date:2010-06-14
Release date:2010-09-08
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of a Populus tomentosa 4-coumarate:CoA ligase shed light on its enzymatic mechanisms
Plant Cell, 22, 2010
3N23
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BU of 3n23 by Molmil
Crystal structure of the high affinity complex between ouabain and the E2P form of the sodium-potassium pump
Descriptor: MAGNESIUM ION, Na+/K+ ATPase gamma subunit transcript variant a, OUABAIN, ...
Authors:Yatime, L, Laursen, M, Morth, J.P, Esmann, M, Nissen, P, Fedosova, N.U.
Deposit date:2010-05-17
Release date:2011-01-19
Last modified:2014-09-17
Method:X-RAY DIFFRACTION (4.6 Å)
Cite:Structural insights into the high affinity binding of cardiotonic steroids to the Na+,K+-ATPase.
J.Struct.Biol., 174, 2011
3N2Z
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BU of 3n2z by Molmil
The Structure of Human Prolylcarboxypeptidase at 2.80 Angstroms Resolution
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, Lysosomal Pro-X carboxypeptidase, ...
Authors:Soisson, S.M, Patel, S.B, Lumb, K.J, Sharma, S.
Deposit date:2010-05-19
Release date:2010-07-07
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (2.79 Å)
Cite:Structural definition and substrate specificity of the S28 protease family: the crystal structure of human prolylcarboxypeptidase.
Bmc Struct.Biol., 10, 2010
3N6X
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Crystal structure of a Putative glutathionylspermidine synthase (Mfla_0391) from METHYLOBACILLUS FLAGELLATUS KT at 2.35 A resolution
Descriptor: CHLORIDE ION, GLYCEROL, Putative glutathionylspermidine synthase, ...
Authors:Joint Center for Structural Genomics (JCSG)
Deposit date:2010-05-26
Release date:2010-06-09
Last modified:2023-02-01
Method:X-RAY DIFFRACTION (2.35 Å)
Cite:Crystal structure of a Putative glutathionylspermidine synthase (Mfla_0391) from METHYLOBACILLUS FLAGELLATUS KT at 2.35 A resolution
To be published
3P67
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BU of 3p67 by Molmil
T26S mutant of pentaerythritol tetranitrate reductase containing a bound acetate molecule
Descriptor: ACETATE ION, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-11
Release date:2010-11-24
Last modified:2023-11-01
Method:X-RAY DIFFRACTION (1.5 Å)
Cite:Focused Directed Evolution of Pentaerythritol Tetranitrate Reductase by Using Automated Anaerobic Kinetic Screening of Site-Saturated Libraries
Chembiochem, 11, 2010
3P6V
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Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog 3Et-AdaC1-Etg-Boc
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog 3Et-AdaC1-Etg-Boc
To be Published
3P74
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BU of 3p74 by Molmil
H181N mutant of pentaerythritol tetranitrate reductase containing a C-terminal His8-tag
Descriptor: FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-12
Release date:2011-03-23
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011
3OYI
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BU of 3oyi by Molmil
Crystal structure of the PFV S217Q mutant intasome in complex with manganese
Descriptor: AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2010-09-23
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.72 Å)
Cite:Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
3P4U
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BU of 3p4u by Molmil
Crystal structure of active caspase-6 in complex with Ac-VEID-CHO inhibitor
Descriptor: Ac-VEID-CHO inhibitor, Caspase-6
Authors:Mueller, I, Lamers, M.B.A.C, Ritchie, A.J, Dominguez, C, Munoz, I, Maillard, M, Kiselyov, A.
Deposit date:2010-10-07
Release date:2011-09-28
Last modified:2015-12-02
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal structures of active and inhibitor-bound human Casp6
To be Published
3OQ1
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BU of 3oq1 by Molmil
Crystal Structure of 11beta-Hydroxysteroid Dehydrogenase-1 (11b-HSD1) in Complex with Diarylsulfone Inhibitor
Descriptor: 3-(2-fluoroethyl)-4-({4-[(2S)-1,1,1-trifluoro-2-hydroxypropan-2-yl]phenyl}sulfonyl)benzonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Wang, Z, Sudom, A, Walker, N.P.
Deposit date:2010-09-02
Release date:2011-07-20
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:The synthesis and SAR of novel diarylsulfone 11beta-HSD1 inhibitors
Bioorg.Med.Chem.Lett., 20, 2010
3P6S
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BU of 3p6s by Molmil
Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
Descriptor: Camphor 5-monooxygenase, PROTOPORPHYRIN IX CONTAINING FE
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC2-C8-Dans
To be Published
3P9U
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Crystal structure of TetX2 from Bacteroides thetaiotaomicron with substrate analogue
Descriptor: FLAVIN-ADENINE DINUCLEOTIDE, SULFATE ION, TetX2 protein
Authors:Walkiewicz, K, Davlieva, M, Sun, C, Lau, K, Shamoo, Y.
Deposit date:2010-10-18
Release date:2011-04-27
Last modified:2017-11-08
Method:X-RAY DIFFRACTION (2.81 Å)
Cite:Crystal structure of Bacteroides thetaiotaomicron TetX2: a tetracycline degrading monooxygenase at 2.8 A resolution.
Proteins, 79, 2011
3OWN
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BU of 3own by Molmil
Potent macrocyclic renin inhibitors
Descriptor: (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4R,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, (2S,4S)-4-hydroxy-2-(1-methylethyl)-4-[(4S,13S)-18-[methyl(methylsulfonyl)amino]-2,15-dioxo-4-phenyl-11-oxa-3,14-diazatricyclo[14.3.1.1~5,9~]henicosa-1(20),5(21),6,8,16,18-hexaen-13-yl]-N-(2-methylpropyl)butanamide, ACETATE ION, ...
Authors:Borkakoti, N, Derbyshire, D.
Deposit date:2010-09-20
Release date:2010-12-15
Last modified:2011-07-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Design and synthesis of potent macrocyclic renin inhibitors.
Bioorg.Med.Chem.Lett., 21, 2011
3P6P
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Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio
Descriptor: (3S,5S,7S)-N-[6-({5-[(3aS,4S,6aR)-2-oxohexahydro-1H-thieno[3,4-d]imidazol-4-yl]pentanoyl}amino)hexyl]tricyclo[3.3.1.1~3,7~]decane-1-carboxamide, Camphor 5-monooxygenase, POTASSIUM ION, ...
Authors:Lee, Y.-T, Wilson, R.F, Glazer, E.C, Goodin, D.B.
Deposit date:2010-10-11
Release date:2010-11-17
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Cytochrome P450cam crystallized in the presence of a tethered substrate analog AdaC1-C6-Bio
To be Published
3OYD
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BU of 3oyd by Molmil
Crystal structure of the Prototype Foamy Virus (PFV) intasome in complex with magnesium and the INSTI GS9160
Descriptor: AMMONIUM ION, DNA (5'-D(*AP*TP*TP*GP*TP*CP*AP*TP*GP*GP*AP*AP*TP*TP*TP*CP*GP*CP*A)-3'), DNA (5'-D(*TP*GP*CP*GP*AP*AP*AP*TP*TP*CP*CP*AP*TP*GP*AP*CP*A)-3'), ...
Authors:Hare, S, Cherepanov, P.
Deposit date:2010-09-23
Release date:2010-11-17
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (2.54 Å)
Cite:Molecular mechanisms of retroviral integrase inhibition and the evolution of viral resistance.
Proc.Natl.Acad.Sci.USA, 107, 2010
3P81
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Pentaerythritol tetranitrate reductase co-crystal structure containing a bound (E)-1-(4'-hydroxyphenyl)-2-nitroethene molecule
Descriptor: 4-[(E)-2-nitroethenyl]phenol, FLAVIN MONONUCLEOTIDE, Pentaerythritol tetranitrate reductase
Authors:Toogood, H.S, Scrutton, N.S.
Deposit date:2010-10-13
Release date:2011-03-02
Last modified:2023-09-06
Method:X-RAY DIFFRACTION (1.2 Å)
Cite:A Site-Saturated Mutagenesis Study of Pentaerythritol Tetranitrate Reductase Reveals that Residues 181 and 184 Influence Ligand Binding, Stereochemistry and Reactivity.
Chembiochem, 12, 2011

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