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4Z51
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BU of 4z51 by Molmil
High Resolution Human Septin 3 GTPase domain
Descriptor: MAGNESIUM ION, Neuronal-specific septin-3, PHOSPHOAMINOPHOSPHONIC ACID-GUANYLATE ESTER
Authors:Valadares, N.F, Macedo, J.N, Leonardo, D.A, Brandao-Neto, J, Pereira, H.M, Matos, S.O, Araujo, A.P.U, Garratt, R.C.
Deposit date:2015-04-02
Release date:2016-04-06
Last modified:2023-09-27
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:A complete compendium of crystal structures for the human SEPT3 subgroup reveals functional plasticity at a specific septin interface
Iucrj, 2020
4QXP
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BU of 4qxp by Molmil
Crystal structure of hSTING(G230I) in complex with DMXAA
Descriptor: (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, Stimulator of interferon genes protein
Authors:Gao, P, Patel, D.J.
Deposit date:2014-07-21
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.51 Å)
Cite:Binding-Pocket and Lid-Region Substitutions Render Human STING Sensitive to the Species-Specific Drug DMXAA.
Cell Rep, 8, 2014
3IA9
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BU of 3ia9 by Molmil
Crystal structure of a chemically synthesized [D25N]HIV-1 protease molecule complexed with MVT-101 reduced isostere inhibitor
Descriptor: N-{(2S)-2-[(N-acetyl-L-threonyl-L-isoleucyl)amino]hexyl}-L-norleucyl-L-glutaminyl-N~5~-[amino(iminio)methyl]-L-ornithinamide, SULFATE ION, [D25N]HIV-1 protease
Authors:Torbeev, V.Y, Kent, S.B.H.
Deposit date:2009-07-13
Release date:2011-07-27
Last modified:2012-12-12
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Hydrogen bonds at the protein-inhibitor interface in the HIV-1 protease / inhibitors complexes probed by total chemical synthesis and X-ray crystallography
To be Published
3S4L
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BU of 3s4l by Molmil
The CRISPR-associated Cas3 HD domain protein MJ0384 from Methanocaldococcus jannaschii
Descriptor: CALCIUM ION, CAS3 Metal dependent phosphohydrolase
Authors:Petit, P, Brown, G, Yakunin, A, Edwards, A, Joachimiak, A, Savchenko, A, Midwest Center for Structural Genomics (MCSG)
Deposit date:2011-05-19
Release date:2011-06-22
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Structure and activity of the Cas3 HD nuclease MJ0384, an effector enzyme of the CRISPR interference.
Embo J., 30, 2011
5YNX
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BU of 5ynx by Molmil
Structure of house dust mite allergen Der f 21 in PEG400
Descriptor: Allergen Der f 21, BETA-MERCAPTOETHANOL, GLYCEROL, ...
Authors:Ng, C.L, Chew, F.T, Pang, S.L, Ho, K.L, Teh, A.H, Waterman, J, Rambo, R, Mathavan, I, Beis, K, Say, Y.H.
Deposit date:2017-10-25
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (1.49 Å)
Cite:Crystal structure and epitope analysis of house dust mite allergen Der f 21.
Sci Rep, 9, 2019
4QXR
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BU of 4qxr by Molmil
Crystal structure of hSTING(S162A/G230I/Q266I) in complex with DMXAA
Descriptor: (5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid, SULFATE ION, Stimulator of interferon genes protein
Authors:Gao, P, Patel, D.J.
Deposit date:2014-07-21
Release date:2014-09-10
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2.37 Å)
Cite:Binding-Pocket and Lid-Region Substitutions Render Human STING Sensitive to the Species-Specific Drug DMXAA.
Cell Rep, 8, 2014
4GQG
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BU of 4gqg by Molmil
Crystal structure of AKR1B10 complexed with NADP+
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
Authors:Zhang, L, Zheng, X, Chen, S, Zhai, J, Hu, X.
Deposit date:2012-08-23
Release date:2013-08-28
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111)
Febs Lett., 587, 2013
4JII
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BU of 4jii by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Zopolrestat
Descriptor: 3,4-DIHYDRO-4-OXO-3-((5-TRIFLUOROMETHYL-2-BENZOTHIAZOLYL)METHYL)-1-PHTHALAZINE ACETIC ACID, Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4BEA
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BU of 4bea by Molmil
Crystal Structure of eIF4E in Complex with a Stapled Peptide Derivative
Descriptor: Eukaryotic translation initiation factor 4E, STAPLED EIF4E INTERACTING PEPTIDE
Authors:Quah, S.T, Lama, D, Verma, C.S, Lane, D.P, Brown, C.J.
Deposit date:2013-03-07
Release date:2013-12-11
Last modified:2024-02-07
Method:X-RAY DIFFRACTION (2.57 Å)
Cite:Rational Optimization of Conformational Effects Induced by Hydrocarbon Staples in Peptides and Their Binding Interfaces.
Sci.Rep., 3, 2013
5YNY
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BU of 5yny by Molmil
Structure of house dust mite allergen Der F 21 in PEG2KMME
Descriptor: Allergen Der f 21
Authors:Ng, C.L, Chew, F.T, Pang, S.L, Ho, K.L, Teh, A.H, Waterman, J, Rambo, R, Mathavan, I.
Deposit date:2017-10-25
Release date:2019-03-13
Last modified:2024-03-27
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Crystal structure and epitope analysis of house dust mite allergen Der f 21.
Sci Rep, 9, 2019
4K37
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BU of 4k37 by Molmil
Native anSMEcpe with bound AdoMet
Descriptor: Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, GLYCEROL, ...
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2013-04-10
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
4K38
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BU of 4k38 by Molmil
Native anSMEcpe with bound AdoMet and Kp18Cys peptide
Descriptor: Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, GLYCEROL, ...
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2013-04-10
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.831 Å)
Cite:X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
4K36
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BU of 4k36 by Molmil
His6 tagged anSMEcpe with bound AdoMet
Descriptor: Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, IRON/SULFUR CLUSTER, ...
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2013-04-10
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.619 Å)
Cite:X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
4K39
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BU of 4k39 by Molmil
Native anSMEcpe with bound AdoMet and Cp18Cys peptide
Descriptor: Anaerobic sulfatase-maturating enzyme, CHLORIDE ION, Cp18Cys peptide, ...
Authors:Goldman, P.J, Drennan, C.L.
Deposit date:2013-04-10
Release date:2013-05-08
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (1.783 Å)
Cite:X-ray structure of an AdoMet radical activase reveals an anaerobic solution for formylglycine posttranslational modification.
Proc.Natl.Acad.Sci.USA, 110, 2013
4JIH
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BU of 4jih by Molmil
Crystal Structure Of AKR1B10 Complexed With NADP+ And Epalrestat
Descriptor: Aldo-keto reductase family 1 member B10, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X, Structural Genomics Consortium (SGC)
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2023-12-06
Method:X-RAY DIFFRACTION (2.3 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
4JIR
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BU of 4jir by Molmil
Crystal Structure Of Aldose Reductase (AKR1B1) Complexed With NADP+ And Epalrestat
Descriptor: Aldose reductase, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, SULFATE ION, ...
Authors:Zhang, L, Zheng, X, Zhang, H, Zhao, Y, Chen, K, Zhai, J, Hu, X.
Deposit date:2013-03-06
Release date:2013-10-23
Last modified:2024-02-28
Method:X-RAY DIFFRACTION (2 Å)
Cite:Inhibitor selectivity between aldo-keto reductase superfamily members AKR1B10 and AKR1B1: Role of Trp112 (Trp111).
Febs Lett., 587, 2013
3ODM
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BU of 3odm by Molmil
Archaeal-type phosphoenolpyruvate carboxylase
Descriptor: GOLD (I) CYANIDE ION, MALONATE ION, Phosphoenolpyruvate carboxylase
Authors:Dunten, P.W.
Deposit date:2010-08-11
Release date:2011-02-02
Last modified:2024-02-21
Method:X-RAY DIFFRACTION (2.95 Å)
Cite:Structure of an archaeal-type phosphoenolpyruvate carboxylase sensitive to inhibition by aspartate.
Proteins, 79, 2011
4PS2
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BU of 4ps2 by Molmil
Structure of the C-terminal fragment (87-165) of E.coli EAEC TssB molecule
Descriptor: CHLORIDE ION, Putative type VI secretion protein, ZINC ION
Authors:Douzi, B, Logger, L, Spinelli, S, Blangy, S, Cambillau, C, Cascales, E.
Deposit date:2014-03-06
Release date:2015-03-11
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2 Å)
Cite:Mapping the tube-sheath interface within the Type VI secretion system tail
To be Published
2MN9
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BU of 2mn9 by Molmil
peptoid analogue of maculatin G15 - peptoid trans-Nleu at position 13
Descriptor: maculatin G15
Authors:Uggerhoej, L.E, Guentert, P, Wimmer, R.
Deposit date:2014-03-29
Release date:2014-07-23
Last modified:2014-12-03
Method:SOLUTION NMR
Cite:Structural features of peptoid-peptide hybrids in lipid-water interfaces.
Febs Lett., 588, 2014
3R34
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BU of 3r34 by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant E73D complexed with CoA
Descriptor: 1,2-ETHANEDIOL, 4-hydroxybenzoyl-CoA thioesterase, COENZYME A
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
3R3F
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BU of 3r3f by Molmil
Crystal structure of Arthrobacter sp. strain SU 4-hydroxybenzoyl CoA thioesterase mutant T77A complexed with 4-hydroxyphenacyl CoA
Descriptor: 4-HYDROXYPHENACYL COENZYME A, 4-hydroxybenzoyl-CoA thioesterase
Authors:Holden, H.M, Thoden, J.B, Song, F, Zhuang, Z, Trujillo, M, Dunaway-Mariano, D.
Deposit date:2011-03-15
Release date:2012-03-28
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The Catalytic Mechanism of the Hotdog-fold Enzyme Superfamily 4-Hydroxybenzoyl-CoA Thioesterase from Arthrobacter sp. Strain SU.
Biochemistry, 51, 2012
4LUK
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BU of 4luk by Molmil
The crystal structure of the P132A, Y133G mutant of Pyrococcus furiosus phosphoglucose isomerase in complex with manganese and 5-phospho-D-arabinonate.
Descriptor: 1,2-ETHANEDIOL, 5-PHOSPHOARABINONIC ACID, Glucose-6-phosphate isomerase, ...
Authors:Baker, P.J, Almourfi, F.M.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.41 Å)
Cite:Correlated mutation analysis as a tool for smart library design to improve protein performance.
To be Published
4LUL
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BU of 4lul by Molmil
The crystal structure of the P132A, Y133D mutant of Pyrococcus furiosus phosphoglucose isomerase in complex with manganese.
Descriptor: Glucose-6-phosphate isomerase, MANGANESE (II) ION
Authors:Baker, P.J, Almourfi, F.M.
Deposit date:2013-07-25
Release date:2014-07-30
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (1.89 Å)
Cite:Correlated mutation analysis as a tool for smart library design to improve protein performance.
To be Published
1J73
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BU of 1j73 by Molmil
Crystal structure of an unstable insulin analog with native activity.
Descriptor: ZINC ION, insulin a, insulin b
Authors:Wan, Z, Zhao, M, Nakagawa, S, Jia, W, Weiss, M.A.
Deposit date:2001-05-15
Release date:2001-05-30
Last modified:2021-10-27
Method:X-RAY DIFFRACTION (2 Å)
Cite:Non-standard insulin design: structure-activity relationships at the periphery of the insulin receptor.
J.Mol.Biol., 315, 2002
2MN8
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BU of 2mn8 by Molmil
NMR structure of a peptoid analogue of maculatin G15 containing cis-Nleu at position 13
Descriptor: maculatin G15
Authors:Uggerhoej, L.E, Guentert, P, Wimmer, R.
Deposit date:2014-03-29
Release date:2014-07-23
Last modified:2014-12-03
Method:SOLUTION NMR
Cite:Structural features of peptoid-peptide hybrids in lipid-water interfaces.
Febs Lett., 588, 2014

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