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2XWT
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BU of 2xwt by Molmil
CRYSTAL STRUCTURE OF THE TSH RECEPTOR IN COMPLEX WITH A BLOCKING TYPE TSHR AUTOANTIBODY
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, THYROID BLOCKING HUMAN AUTOANTIBODY K1-70 HEAVY CHAIN, ...
著者Sanders, J, Sanders, P, Young, S, Kabelis, K, Baker, S, Sullivan, A, Evans, M, Clark, J, Wilmot, J, Hu, X, Roberts, E, Powell, M, Nunez Miguel, R, Furmaniak, J, Rees Smith, B.
登録日2010-11-05
公開日2011-03-09
最終更新日2023-12-20
実験手法X-RAY DIFFRACTION (1.9 Å)
主引用文献Crystal Structure of the Tsh Receptor (Tshr) Bound to a Blocking-Type Tshr Autoantibody.
J.Mol.Endocrinol., 46, 2011
2LS5
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BU of 2ls5 by Molmil
Solution structure of a putative protein disulfide isomerase from Bacteroides thetaiotaomicron
分子名称: Uncharacterized protein
著者Harris, R, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-04-20
公開日2012-05-09
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of a putative protein disulfide isomerase from Bacteroides thetaiotaomicron
To be Published
2LS8
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BU of 2ls8 by Molmil
Solution structure of human C-type lectin domain family 4 member D
分子名称: C-type lectin domain family 4 member D
著者Harris, R, Gaudette, J, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-04-23
公開日2012-05-09
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of human C-type lectin domain family 4 member D
To be Published
2LST
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BU of 2lst by Molmil
Solution structure of a thioredoxin from Thermus thermophilus
分子名称: Thioredoxin
著者Harris, R, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-05-04
公開日2012-05-16
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of a thioredoxin from Thermus thermophilus
To be Published
2LRT
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BU of 2lrt by Molmil
Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus
分子名称: Uncharacterized protein
著者Harris, R, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-04-13
公開日2012-04-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of the uncharacterized thioredoxin-like protein BVU_1432 from Bacteroides vulgatus
To be Published
2LRN
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BU of 2lrn by Molmil
Solution structure of a thiol:disulfide interchange protein from Bacteroides sp.
分子名称: Thiol:disulfide interchange protein
著者Harris, R, Bandaranayake, A.D, Banu, R, Bonanno, J.B, Calarese, D.A, Celikgil, A, Chamala, S, Chan, M.K, Chaparro, R, Evans, B, Garforth, S, Gizzi, A, Hillerich, B, Kar, A, Lafleur, J, Lim, S, Love, J, Matikainen, B, Patel, H, Seidel, R.D, Smith, B, Stead, M, Girvin, M.E, Almo, S.C, New York Structural Genomics Research Consortium (NYSGRC)
登録日2012-04-10
公開日2012-04-25
最終更新日2023-06-14
実験手法SOLUTION NMR
主引用文献Solution structure of a thiol:disulfide interchange protein from Bacteroides sp.
To be Published
1XL4
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BU of 1xl4 by Molmil
Intermediate gating structure 1 of the inwardly rectifying K+ channel KirBac3.1
分子名称: Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION
著者Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M.
登録日2004-09-30
公開日2004-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.6 Å)
主引用文献Two intermediate gating state crystal structures of the KirBac3.1 K+ channel
To be Published
1XL6
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BU of 1xl6 by Molmil
Intermediate gating structure 2 of the inwardly rectifying K+ channel KirBac3.1
分子名称: Inward rectifier potassium channel, MAGNESIUM ION, POTASSIUM ION, ...
著者Gulbis, J.M, Kuo, A, Smith, B, Doyle, D.A, Edwards, A, Arrowsmith, C, Sundstrom, M.
登録日2004-09-30
公開日2004-12-07
最終更新日2023-10-25
実験手法X-RAY DIFFRACTION (2.85 Å)
主引用文献Two intermediate gating state crystal structures of the KirBac3.1 K+ channel
To be Published
1GKG
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BU of 1gkg by Molmil
Structure Determination and Rational Mutagenesis reveal binding surface of immune adherence receptor, CR1 (CD35)
分子名称: COMPLEMENT RECEPTOR TYPE 1
著者Smith, B.O, Mallin, R.L, Krych-Goldberg, M, Wang, X, Hauhart, R.E, Bromek, K, Uhrin, D, Atkinson, J.P, Barlow, P.N.
登録日2001-08-14
公開日2002-04-18
最終更新日2011-07-13
実験手法SOLUTION NMR
主引用文献Structure of the C3B Binding Site of Cr1 (Cd35), the Immune Adherence Receptor
Cell(Cambridge,Mass.), 108, 2002
6FGB
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BU of 6fgb by Molmil
Human FcRn extra-cellular domain complexed with Fab fragment of Rozanolixizumab
分子名称: 1519.g57- Heavy chain, 1519.g57- Light chain, Beta-2-microglobulin, ...
著者Sarkar, K, Ceska, T, Meier, C.
登録日2018-01-10
公開日2018-08-29
最終更新日2024-01-17
実験手法X-RAY DIFFRACTION (2.9 Å)
主引用文献Generation and characterization of a high affinity anti-human FcRn antibody, rozanolixizumab, and the effects of different molecular formats on the reduction of plasma IgG concentration.
MAbs, 10, 2018
1NL6
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BU of 1nl6 by Molmil
Crystal Structure Of The Cysteine Protease Human Cathepsin K In Complex With A Covalent Azepanone Inhibitor
分子名称: 5-(2-MORPHOLIN-4-YLETHOXY)BENZOFURAN-2-CARBOXYLIC ACID ((S)-3-METHYL-1-{(S)-3-OXO-1-[2-(3-PYRIDIN-2-YLPHENYL)ACETYL]AZEPAN-4-YLCARBAMOYL}BUTYL)AMIDE, Cathepsin K
著者Smith, W.W, Janson, C.A, Zhao, B.
登録日2003-01-06
公開日2003-01-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.8 Å)
主引用文献Azepanone-based inhibitors of human and rat cathepsin K
J.Med.Chem., 44, 2001
1NLJ
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BU of 1nlj by Molmil
CRYSTAL STRUCTURE OF THE CYSTEINE PROTEASE HUMAN CATHEPSIN K IN COMPLEX WITH A COVALENT AZEPANONE INHIBITOR
分子名称: BENZOFURAN-2-CARBOXYLIC ACID {(S)-3-METHYL-1-[3-OXO-1-(PYRIDIN-2-YLSULFONYL)AZEPAN-4-YLCARBAMOYL]BUTYL}AMIDE, CATHEPSIN K
著者Smith, W.W, Janson, C.A, Zhao, B.
登録日2003-01-07
公開日2003-01-14
最終更新日2023-08-16
実験手法X-RAY DIFFRACTION (2.4 Å)
主引用文献Azepanone-Based Inhibitors of Human and Rat Cathepsin K
J.Med.Chem., 44, 2001
7MKL
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BU of 7mkl by Molmil
SARS-CoV-2 Spike in complex with neutralizing Fab SARS2-38 (three down conformation)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, ...
著者Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-04-24
公開日2021-05-12
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (3.2 Å)
主引用文献A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
7MKM
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BU of 7mkm by Molmil
SARS-CoV-2 Spike RBD in complex with neutralizing Fab SARS2-38 (local refinement)
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, SARS2-38 Fv heavy chain, SARS2-38 Fv light chain, ...
著者Adams, L.J, Fremont, D.H, Center for Structural Genomics of Infectious Diseases (CSGID)
登録日2021-04-24
公開日2021-05-12
最終更新日2021-12-01
実験手法ELECTRON MICROSCOPY (3.16 Å)
主引用文献A potently neutralizing SARS-CoV-2 antibody inhibits variants of concern by utilizing unique binding residues in a highly conserved epitope.
Immunity, 54, 2021
3G04
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BU of 3g04 by Molmil
Crystal structure of the TSH receptor in complex with a thyroid-stimulating autoantibody
分子名称: 2-acetamido-2-deoxy-beta-D-glucopyranose, HUMAN THYROID STIMULATING AUTOANTIBODY M22 HEAVY CHAIN, HUMAN THYROID STIMULATING AUTOANTIBODY M22 LIGHT CHAIN, ...
著者Sanders, J, Chirgadze, D.Y, Sanders, P, Baker, S, Sullivan, A, Bhardwaja, A, Bolton, J, Reeve, M, Nakatake, N, Evans, M, Richards, T, Powell, M, Miguel, R.N, Blundell, T.L, Furmaniak, J, Smith, B.R.
登録日2009-01-27
公開日2009-08-04
最終更新日2023-11-01
実験手法X-RAY DIFFRACTION (2.55 Å)
主引用文献Crystal structure of the TSH receptor in complex with a thyroid-stimulating autoantibody
Thyroid, 17, 2007
7APU
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BU of 7apu by Molmil
Structure of Adenylate kinase from Escherichia coli in complex with two ADP molecules refined at 1.36 A resolution.
分子名称: ADENOSINE-5'-DIPHOSPHATE, Adenylate kinase, SODIUM ION
著者Grundstom, C, Wolf-Watz, M, Nam, K, Sauer, U.H.
登録日2020-10-19
公開日2022-03-02
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.36 Å)
主引用文献Dynamic Connection between Enzymatic Catalysis and Collective Protein Motions.
Biochemistry, 60, 2021
6ZJD
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BU of 6zjd by Molmil
Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor ATP
分子名称: ADENOSINE-5'-TRIPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ...
著者Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
登録日2020-06-28
公開日2020-09-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.75 Å)
主引用文献Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3.
Biochemistry, 59, 2020
6ZJB
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BU of 6zjb by Molmil
Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Gp5A
分子名称: GTP:AMP phosphotransferase AK3, mitochondrial, MAGNESIUM ION, ...
著者Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
登録日2020-06-28
公開日2020-09-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.822 Å)
主引用文献Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3.
Biochemistry, 59, 2020
6ZJE
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BU of 6zje by Molmil
Crystal structure of human adenylate kinase 3, AK3, in complex with inhibitor Ap5A
分子名称: BIS(ADENOSINE)-5'-PENTAPHOSPHATE, CHLORIDE ION, GTP:AMP phosphotransferase AK3, ...
著者Grundstrom, C, Rogne, P, Wolf-Watz, M, Sauer-Eriksson, A.E.
登録日2020-06-28
公開日2020-09-16
最終更新日2024-01-31
実験手法X-RAY DIFFRACTION (1.48 Å)
主引用文献Structural Basis for GTP versus ATP Selectivity in the NMP Kinase AK3.
Biochemistry, 59, 2020
5HDX
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BU of 5hdx by Molmil
BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-[(2E,4aR,7aR)-6-(4-ethoxy-5-fluoro-6-methylpyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophene-2-carbonitrile, Beta-secretase 1
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.602 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HE4
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BACE-1 in complex with (4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: (2E,4aR,7aS)-7a-(2,6-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.53 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HE7
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BU of 5he7 by Molmil
BACE-1 in complex with (4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one
分子名称: (2E,4aR,7aS)-7a-(2,4-difluorophenyl)-6-(5-fluoro-4-methoxy-6-methylpyrimidin-2-yl)-2-imino-3-methyloctahydro-4H-pyrrolo[3,4-d]pyrimidin-4-one, Beta-secretase 1
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.71 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HDZ
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BU of 5hdz by Molmil
BACE-1 in complex with (7aR)-7a-(5-cyanothiophen-2-yl)-6-(5-fluoro-4-methyl-6-(methylthio)pyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 5-{(2E,4aR,7aR)-6-[5-fluoro-4-methyl-6-(methylsulfanyl)pyrimidin-2-yl]-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl}thiophene-2-carbonitrile, Beta-secretase 1
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.49 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HD0
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BU of 5hd0 by Molmil
BACE-1 in complex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoropyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 3-{5-[(2E,4aR,7aR)-6-(5-fluoropyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-04
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.65 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016
5HDU
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BACE-1 incomplex with (7aR)-7a-(4-(3-cyanophenyl)thiophen-2-yl)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-3-methyl-4-oxooctahydro-2H-pyrrolo[3,4-d]pyrimidin-2-iminium
分子名称: 3-{5-[(2E,4aR,7aR)-6-(5-fluoro-4-methoxypyrimidin-2-yl)-2-imino-3-methyl-4-oxooctahydro-7aH-pyrrolo[3,4-d]pyrimidin-7a-yl]thiophen-3-yl}benzonitrile, Beta-secretase 1, L(+)-TARTARIC ACID
著者Orth, P.
登録日2016-01-05
公開日2016-03-16
最終更新日2016-04-27
実験手法X-RAY DIFFRACTION (1.58 Å)
主引用文献Structure-Based Design of an Iminoheterocyclic beta-Site Amyloid Precursor Protein Cleaving Enzyme (BACE) Inhibitor that Lowers Central A beta in Nonhuman Primates.
J.Med.Chem., 59, 2016

 

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