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6VJK
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BU of 6vjk by Molmil
Streptavidin mutant M88 (N49C/A86C)
Descriptor: BIOTIN, Streptavidin
Authors:Marangoni, J.M, Wu, S.C, Fogen, D, Wong, S.L, Ng, K.K.S.
Deposit date:2020-01-16
Release date:2020-12-23
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.6 Å)
Cite:Engineering a disulfide-gated switch in streptavidin enables reversible binding without sacrificing binding affinity.
Sci Rep, 10, 2020
6VJL
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BU of 6vjl by Molmil
Streptavidin mutant M112 (G26C/A46C)
Descriptor: BIOTIN, Streptavidin
Authors:Marangoni, J.M, Wu, S.C, Fogen, D, Wong, S.L, Ng, K.K.S.
Deposit date:2020-01-16
Release date:2020-12-23
Last modified:2023-10-11
Method:X-RAY DIFFRACTION (1.3 Å)
Cite:Engineering a disulfide-gated switch in streptavidin enables reversible binding without sacrificing binding affinity.
Sci Rep, 10, 2020
4JO6
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BU of 4jo6 by Molmil
Streptavidin complex with SBP-Tag
Descriptor: SBP-Tag, Streptavidin
Authors:Barrette-Ng, I.H, Wu, S.C, Tjia, W.M, Wong, S.L, Ng, K.K.S.
Deposit date:2013-03-17
Release date:2013-05-01
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (1.75 Å)
Cite:The structure of the SBP-Tag-streptavidin complex reveals a novel helical scaffold bridging binding pockets on separate subunits
Acta Crystallogr.,Sect.D, 69, 2013
3TFQ
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BU of 3tfq by Molmil
Crystal structure of 11b-hsd1 double mutant (l262r, f278e) complexed with 8-{[(2-CYANOPYRIDIN-3-YL)METHYL]SULFANYL}-6-HYDROXY-3,4-DIHYDRO-1H-PYRANO[3,4-C]PYRIDINE-5-CARBONITRILE
Descriptor: 8-{[(2-cyanopyridin-3-yl)methyl]sulfanyl}-6-hydroxy-3,4-dihydro-1H-pyrano[3,4-c]pyridine-5-carbonitrile, Corticosteroid 11-beta-dehydrogenase isozyme 1, GLYCEROL, ...
Authors:Sheriff, S.
Deposit date:2011-08-16
Release date:2011-11-02
Last modified:2024-04-03
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Discovery of 3-hydroxy-4-cyano-isoquinolines as novel, potent, and selective inhibitors of human 11beta-hydroxydehydrogenase 1 (11beta-HSD1)
Bioorg.Med.Chem.Lett., 21, 2011
4XBL
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BU of 4xbl by Molmil
Crystal Structure of Human Galectin-1 in Complex with Type 1 N-acetyllactosamine
Descriptor: Galectin-1, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2014-12-17
Release date:2015-05-20
Last modified:2023-11-15
Method:X-RAY DIFFRACTION (1.931 Å)
Cite:Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
4Y1X
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BU of 4y1x by Molmil
Complex of human Galectin-1 and Galbeta1-4(6OSO3)GlcNAc
Descriptor: Galectin-1, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.45 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4Y20
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BU of 4y20 by Molmil
Complex of human Galectin-1 and NeuAcalpha2-3Galbeta1-4Glc
Descriptor: Galectin-1, N-acetyl-alpha-neuraminic acid-(2-3)-beta-D-galactopyranose-(1-4)-alpha-D-glucopyranose
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.204 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4Y24
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BU of 4y24 by Molmil
Complex of human Galectin-1 and TD-139
Descriptor: 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-beta-D-galactopyranosyl 3-deoxy-3-[4-(3-fluorophenyl)-1H-1,2,3-triazol-1-yl]-1-thio-beta-D-galactopyranoside, Galectin-1
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-27
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Dual thio-digalactoside-binding modes of human galectins as the structural basis for the design of potent and selective inhibitors.
Sci Rep, 6, 2016
4XBN
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BU of 4xbn by Molmil
Crystal Structure of Human Galectin-3 CRD in Complex with Type 1 N-acetyllactosamine
Descriptor: Galectin-3, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2014-12-17
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.208 Å)
Cite:Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
4XBQ
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BU of 4xbq by Molmil
Crystal Structure of Human Galectin-7 in Complex with Type 1 N-acetyllactosamine
Descriptor: Galectin-7, beta-D-galactopyranose-(1-3)-2-acetamido-2-deoxy-beta-D-glucopyranose
Authors:Hsieh, T.J, Lin, H.Y, Lin, C.H.
Deposit date:2014-12-17
Release date:2015-05-20
Last modified:2023-11-08
Method:X-RAY DIFFRACTION (2.234 Å)
Cite:Structural Basis Underlying the Binding Preference of Human Galectins-1, -3 and -7 for Gal beta 1-3/4GlcNAc.
Plos One, 10, 2015
4Y1U
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BU of 4y1u by Molmil
Complex of human Galectin-1 and Galbeta1-4GlcNAc
Descriptor: Galectin-1, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.762 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4Y26
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BU of 4y26 by Molmil
Complex of human Galectin-7 and Galbeta1-3(6OSO3)GlcNAc
Descriptor: Galectin-7, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2024-03-20
Method:X-RAY DIFFRACTION (2.611 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4Y1V
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BU of 4y1v by Molmil
Complex of human Galectin-1 and Galbeta1-3GlcNAc
Descriptor: Galectin-1, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.32 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4Y1Z
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BU of 4y1z by Molmil
Complex of human Galectin-1 and Galbeta1-4(6CO2)GlcNAc
Descriptor: Galectin-1, beta-D-galactopyranose-(1-4)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranosiduronic acid
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.23 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4Y22
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BU of 4y22 by Molmil
Complex of human Galectin-1 and (3OSO3)Galbeta1-3GlcNAc
Descriptor: 3-O-sulfo-beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-beta-D-glucopyranoside, Galectin-1
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (2.5 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4Y1Y
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BU of 4y1y by Molmil
Complex of human Galectin-1 and (6OSO3)Galbeta1-3GlcNAc
Descriptor: Galectin-1, beta-D-galactopyranose-(1-3)-methyl 2-acetamido-2-deoxy-6-O-sulfo-beta-D-glucopyranoside
Authors:Lin, H.Y, Hsieh, T.J, Lin, C.H.
Deposit date:2015-02-09
Release date:2016-04-06
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (1.86 Å)
Cite:Structural basis of human galectin-1 inhibition with Ki values in the micro- to nanomolar range
To Be Published
4EKV
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BU of 4ekv by Molmil
Streptavidin 8-aa-loop H127C mutein with reversible biotin binding
Descriptor: BIOTIN, CHLORIDE ION, Streptavidin
Authors:Barrette-Ng, I.H, Honetschlaeger, C, Wong, S.L, Ng, K.K.S.
Deposit date:2012-04-09
Release date:2012-06-13
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (2 Å)
Cite:Development of a tetrameric streptavidin mutein with reversible biotin binding capability: engineering a mobile loop as an exit door for biotin.
Plos One, 7, 2012
4JZE
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BU of 4jze by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
Descriptor: 2-{2-[(1-aminoisoquinolin-6-yl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-04-02
Release date:2013-08-21
Last modified:2024-10-16
Method:X-RAY DIFFRACTION (1.52 Å)
Cite:Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
4JZD
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BU of 4jzd by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
Descriptor: 2-{2-[(4-carbamimidoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Jacobson, B.L, Anumula, R.
Deposit date:2013-04-02
Release date:2013-08-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
4JZF
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BU of 4jzf by Molmil
Structure of factor VIIA in complex with the inhibitor 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid
Descriptor: 2-{2-[(3-carbamoylphenyl)carbamoyl]-6-methoxypyridin-3-yl}-5-{[(2S)-1-hydroxy-3,3-dimethylbutan-2-yl]carbamoyl}benzoic acid, CALCIUM ION, Factor VIIa (Heavy Chain), ...
Authors:Wei, A, Anumula, R.
Deposit date:2013-04-02
Release date:2013-08-21
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.84 Å)
Cite:Discovery of nonbenzamidine factor VIIa inhibitors using a biaryl acid scaffold.
Bioorg.Med.Chem.Lett., 23, 2013
1PJW
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BU of 1pjw by Molmil
Solution Structure of the Domain III of the Japan Encephalitis Virus Envelope Protein
Descriptor: envelope protein
Authors:Wu, K.P, Wu, C.W, Tsao, Y.P, Lou, Y.C, Lin, C.W.
Deposit date:2003-06-04
Release date:2003-11-25
Last modified:2022-02-23
Method:SOLUTION NMR
Cite:Structural Basis of a Flavivirus Recognized by Its Neutralizing Antibody: SOLUTION STRUCTURE OF THE DOMAIN III OF THE JAPANESE ENCEPHALITIS VIRUS ENVELOPE PROTEIN.
J.Biol.Chem., 278, 2003
2P3U
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BU of 2p3u by Molmil
Crystal structure of human factor XA complexed with 3-chloro-N-(4-chloro-2-{[(5-chloropyridin-2-yl)amino]carbonyl}-6-methoxyphenyl)-4-[(1-methyl-1H-imidazol-2-yl)methyl]thiophene-2-carboxamide {Pfizer 320663}
Descriptor: 3-CHLORO-N-(4-CHLORO-2-{[(5-CHLOROPYRIDIN-2-YL)AMINO]CARBONYL}-6-METHOXYPHENYL)-4-[(1-METHYL-1H-IMIDAZOL-2-YL)METHYL]THIOPHENE-2-CARBOXAMIDE, CALCIUM ION, Coagulation factor X
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2007-09-11
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.62 Å)
Cite:

2P3T
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BU of 2p3t by Molmil
Crystal structure of human factor XA complexed with 3-Chloro-4-(2-methylamino-imidazol-1-ylmethyl)-thiophene-2-carboxylic acid [4-chloro-2-(5-chloro-pyridin-2-ylcarbamoyl)-6-methoxy-phenyl]-amide
Descriptor: 3-CHLORO-4-(2-METHYLAMINO-IMIDAZOL-1-YLMETHYL)-THIOPHENE-2-CARBOXYLIC ACID [4-CHLORO-2-(5-CHLORO-PYRIDIN-2-YLCARBAMOYL)-6-METHOXY-PHENYL]-AMIDE, CALCIUM ION, CHLORIDE ION, ...
Authors:Adler, M, Whitlow, M.
Deposit date:2007-03-09
Release date:2008-01-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (1.92 Å)
Cite:Thiophene-anthranilamides as highly potent and orally available factor xa inhibitors.
J.Med.Chem., 50, 2007
6APJ
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BU of 6apj by Molmil
Crystal Structure of human ST6GALNAC2
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 2
Authors:Forouhar, F, Moremen, K.W, Northeast Structural Genomics Consortium (NESG), Tong, L.
Deposit date:2017-08-17
Release date:2017-12-20
Last modified:2020-07-29
Method:X-RAY DIFFRACTION (3.1 Å)
Cite:Expression system for structural and functional studies of human glycosylation enzymes.
Nat. Chem. Biol., 14, 2018
5XVS
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BU of 5xvs by Molmil
Crystal structure of UDP-GlcNAc 2-epimerase NeuC complexed with UDP
Descriptor: 2-acetamido-2-deoxy-beta-D-glucopyranose, GDP/UDP-N,N'-diacetylbacillosamine 2-epimerase (Hydrolyzing), LITHIUM ION, ...
Authors:Ko, T.P, Hsieh, T.J, Chen, S.C, Wu, S.C, Guan, H.H, Yang, C.H, Chen, C.J, Chen, Y.
Deposit date:2017-06-28
Release date:2018-04-11
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.383 Å)
Cite:The tetrameric structure of sialic acid-synthesizing UDP-GlcNAc 2-epimerase fromAcinetobacter baumannii: A comparative study with human GNE.
J. Biol. Chem., 293, 2018

 

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